data_1ygo_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1ygo _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.0 ptm . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.889 0.376 . . . . 1.3600000000000001 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.02 144.6 11.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.0 -0.545 . . . . 1.29 111.239 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -57.34 -29.86 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.636 . . . . 1.26 110.923 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -29.12 54.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 3.2200000000000002 110.518 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tt -78.89 -36.43 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.827 -0.624 . . . . 2.1699999999999999 110.42 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.32 111.7 2.54 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.888 -0.597 . . . . 1.53 110.915 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.52 120.12 7.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.341 2.027 . . . . 0.53000000000000003 112.176 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.604 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -57.43 -49.45 93.81 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.144 -0.48 . . . . 2.23 111.808 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.7 Cg_endo -53.86 -23.01 25.72 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.209 1.94 . . . . 0.93000000000000005 112.365 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -86.23 -42.06 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 1.26 110.807 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -60.24 -26.3 66.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 4.3099999999999996 110.951 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -24.38 50.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.22 111.294 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -43.28 80.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 2.6499999999999999 110.953 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tt -75.3 -42.15 55.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 2.1299999999999999 110.923 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.7 m -57.57 -45.49 85.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.021 0.438 . . . . 0.92000000000000004 110.347 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.15 90.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 1.21 110.832 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -62.96 -60.57 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.7 -0.682 . . . . 0.92000000000000004 111.01 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.08 -23.27 61.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 1.6599999999999999 111.184 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -60.49 -37.49 81.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 1.21 111.052 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.71 -29.67 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.3100000000000001 110.994 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -16.26 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.6899999999999999 111.034 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.06 53.94 9.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 2.0299999999999998 110.967 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.41 32.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 1.3100000000000001 111.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -65.59 -38.11 88.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.57999999999999996 110.856 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -29.31 70.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 2.8199999999999998 110.943 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -7.76 50.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 3.29 110.992 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.9 mt -93.97 -58.48 2.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.322 -0.399 . . . . 1.27 110.096 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 -56.08 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 1.0700000000000001 111.109 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -61.34 -35.51 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 1.22 111.404 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.22 -34.29 66.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.513 -0.312 . . . . 1.1499999999999999 111.356 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.3 m -102.05 4.82 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.396 -0.366 . . . . 1.1699999999999999 110.896 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.46 102.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.893 -0.594 . . . . 2.6099999999999999 111.13 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -132.7 157.59 44.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.5800000000000001 110.997 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 39.3 m-85 -69.74 137.32 87.9 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 1.6799999999999999 110.664 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 31.6 Cg_exo -59.97 -21.72 66.02 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.564 2.176 . . . . 1.78 112.471 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -68.41 -32.11 71.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.418 -0.355 . . . . 2.0099999999999998 110.831 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -32.89 48.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 1.96 110.643 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 t -63.82 -32.68 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 1.5 110.925 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -46.56 89.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 2.4399999999999999 111.055 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.85 -32.47 69.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 2.1200000000000001 111.36 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 mt -76.91 -47.98 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 1.1200000000000001 111.212 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -54.09 -52.84 59.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 1.8100000000000001 111.296 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -57.93 -41.01 81.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 1.47 111.245 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -41.34 97.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 2.5 111.21 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -60.12 -30.59 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 2.2999999999999998 111.27 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 3.7000000000000002 111.162 -179.758 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.74 0.305 . . . . 1.99 110.948 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.06 82.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 1.1200000000000001 111.189 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -33.75 76.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.97999999999999998 110.805 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -51.29 70.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 2.3199999999999998 110.285 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.66 -38.2 88.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 1.72 110.406 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -56.63 -48.08 78.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.845 -0.616 . . . . 0.60999999999999999 110.674 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.83 -34.27 77.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 1.3100000000000001 110.891 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -64.0 -26.2 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 1.8899999999999999 111.464 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.9 mt -94.98 -53.97 7.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.511 -0.313 . . . . 1.2 111.603 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -71.0 -11.57 61.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.69999999999999996 111.008 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.4 58.63 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 1.0800000000000001 112.474 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.34 -29.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.878 -0.677 . . . . 1.54 112.397 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -100.46 -44.01 6.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.861 0.362 . . . . 2.5099999999999998 110.805 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -100.7 -26.78 13.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 1.8400000000000001 110.784 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 65.44 145.64 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.005 -0.543 . . . . 3.6400000000000001 111.361 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.41 -152.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 3.3500000000000001 110.46 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.4 p -144.76 158.91 43.6 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.835 0.35 . . . . 1.5600000000000001 111.064 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.01 -17.81 21.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 1.8300000000000001 111.317 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -63.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 2.27 110.919 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 m -55.87 -34.01 65.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 1.28 111.283 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 57.7 tp -61.22 -33.85 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 1.22 111.232 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.35 -60.01 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.84999999999999998 111.177 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.12 -16.14 40.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 1.24 111.721 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 32.6 tp -66.29 -54.21 27.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.7 0.286 . . . . 1.8600000000000001 111.033 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -58.56 -26.59 63.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.55000000000000004 111.218 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -54.73 -18.28 4.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 2.1200000000000001 111.177 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.3 -57.47 12.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 2.7799999999999998 111.344 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mt -92.87 10.52 30.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 2.1800000000000002 111.252 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt 54.4 51.24 14.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 3.4199999999999999 110.874 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -89.1 79.0 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 1.9399999999999999 111.104 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -54.89 -27.78 45.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.125 -0.489 . . . . 2.4100000000000001 110.978 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -68.22 -56.12 9.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 2.0499999999999998 110.916 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.14 -33.69 58.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 1.1799999999999999 111.221 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -66.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 1.9199999999999999 111.238 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -17.02 16.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 3.8900000000000001 111.402 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -40.06 89.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.472 -0.331 . . . . 1.46 110.962 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.83 49.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 1.47 111.285 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 -33.23 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 3.27 110.677 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.18 1.31 3.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 1.6399999999999999 111.347 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -110.79 -12.47 14.28 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.753 0.279 . . . . 1.46 111.753 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.332 -0.187 0 CA-C-O 120.758 0.313 . . . . 1.6200000000000001 110.998 179.666 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.6 ptm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.829 0.347 . . . . 1.3600000000000001 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 76' ' ' THR . . . -51.91 155.27 1.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.08 -0.509 . . . . 1.29 111.117 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -32.33 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 1.26 110.692 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -56.82 -34.86 68.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.52 . . . . 3.2200000000000002 110.315 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -40.47 96.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.88 -0.6 . . . . 2.1699999999999999 110.491 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.5 112.14 3.41 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.824 -0.625 . . . . 1.53 110.822 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.84 120.83 8.98 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.254 1.969 . . . . 0.53000000000000003 112.007 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.41 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 3.6 mt -54.12 -48.26 94.74 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.157 -0.474 . . . . 2.23 111.679 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 73.1 Cg_exo -48.71 -29.37 14.38 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.228 1.952 . . . . 0.93000000000000005 112.455 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.04 -35.87 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 1.26 111.065 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.506 HH12 HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -59.59 -30.3 68.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 4.3099999999999996 110.945 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -20.88 29.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 1.22 111.488 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -55.57 12.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 2.6499999999999999 111.016 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 95' ' ' LEU . 2.5 tm? -74.66 -30.77 61.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 2.1299999999999999 110.815 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.481 ' HB3' ' HG ' ' A' ' 60' ' ' SER . 10.7 m -59.01 -45.54 90.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.003 0.43 . . . . 0.92000000000000004 110.458 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.1 99.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.823 -0.626 . . . . 1.21 110.847 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -59.83 -54.75 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.531 -0.759 . . . . 0.92000000000000004 111.021 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD22 HD12 ' A' ' 24' ' ' LEU . 3.7 mm? -58.52 -29.27 66.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 1.6599999999999999 110.938 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -72.01 -34.2 68.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.21 110.893 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.51 81.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 1.3100000000000001 110.982 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.43 -8.76 55.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 1.6899999999999999 110.91 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 53.68 63.76 2.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 2.0299999999999998 111.16 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 m -137.26 19.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 1.3100000000000001 111.142 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 20.5 p-90 -61.51 -35.62 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.57999999999999996 110.926 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -63.22 -33.27 75.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 2.8199999999999998 110.877 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.19 -31.19 65.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 3.29 110.909 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.44 -56.46 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 1.27 110.521 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -58.36 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 1.0700000000000001 111.431 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -60.36 -33.3 72.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 1.22 111.718 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.64 -34.28 64.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.46 -0.336 . . . . 1.1499999999999999 111.445 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -104.58 5.55 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 1.1699999999999999 111.104 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.85 94.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 2.6099999999999999 111.024 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.94 161.79 28.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 1.5800000000000001 110.795 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 47.7 m-85 -69.7 137.47 88.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 1.6799999999999999 110.628 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 32.5 Cg_exo -58.66 -21.04 53.67 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.478 2.119 . . . . 1.78 112.349 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -30.31 65.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 2.0099999999999998 110.577 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -78.41 -42.23 30.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 1.96 110.531 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 t -63.98 -40.18 88.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.046 -0.525 . . . . 1.5 110.844 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -60.25 -40.0 88.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.92 -0.582 . . . . 2.4399999999999999 110.886 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.87 67.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 2.1200000000000001 110.968 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -73.13 -49.61 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 1.1200000000000001 111.159 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -33.79 58.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 1.8100000000000001 111.109 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -68.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 1.47 111.11 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -61.1 -24.28 66.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 2.5 111.044 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -60.78 -34.42 74.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 2.2999999999999998 111.012 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 3.7000000000000002 111.038 -179.857 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.481 ' HG ' ' HB3' ' A' ' 25' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.824 0.345 . . . . 1.99 110.883 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.97 90.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 1.1200000000000001 111.385 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 m -64.24 -30.05 71.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.97999999999999998 111.014 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.9 -55.89 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 2.3199999999999998 110.889 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -64.98 -37.87 89.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 1.72 110.736 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -57.62 -46.54 83.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.60999999999999999 110.869 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.3 -36.86 85.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 1.3100000000000001 111.213 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.88 -29.11 70.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 1.8899999999999999 111.634 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mt -88.41 -54.81 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 1.2 111.718 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -69.92 -15.1 63.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.69999999999999996 110.926 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -117.7 58.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 1.0800000000000001 112.551 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -166.26 -32.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.73 -0.748 . . . . 1.54 112.422 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -113.92 11.62 17.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 2.5099999999999998 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -121.44 -23.34 5.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 1.8400000000000001 110.85 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 56.2 45.35 23.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.143 -0.48 . . . . 3.6400000000000001 111.244 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -77.5 -162.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 3.3500000000000001 110.684 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 12' ' ' ALA . 30.4 p -144.99 172.56 12.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.391 -0.368 . . . . 1.5600000000000001 110.707 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.531 HG21 ' HA ' ' A' ' 100' ' ' VAL . 29.3 m -63.94 -17.36 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 1.8300000000000001 111.15 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.41 -63.63 1.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 2.27 110.946 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -53.97 -35.51 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 1.28 111.177 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.77 -50.99 71.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 1.22 110.949 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -61.38 -54.43 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.84999999999999998 111.309 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.422 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -60.28 -23.84 64.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 1.24 111.729 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.36 -44.93 81.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.563 -0.29 . . . . 1.8600000000000001 111.161 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -58.85 -32.52 69.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.55000000000000004 111.225 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.422 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -53.35 -43.3 67.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 2.1200000000000001 111.109 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -60.0 -30.94 69.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 2.7799999999999998 111.177 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.08 -6.57 47.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 2.1800000000000002 110.941 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt 57.03 43.0 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 3.4199999999999999 111.17 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.6 mt -89.28 80.07 6.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 1.9399999999999999 110.897 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -54.88 -34.95 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 2.4100000000000001 111.148 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.64 -55.97 8.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 2.0499999999999998 110.931 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.63 47.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 1.1799999999999999 111.126 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 mtm -58.62 -66.53 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 1.9199999999999999 110.858 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.452 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 7.2 ptm180 -58.77 -21.73 56.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.142 -0.481 . . . . 3.8900000000000001 110.8 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.505 HD13 HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.36 -35.11 79.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.46 110.975 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.506 HG23 HH12 ' A' ' 21' ' ' ARG . 1.8 pt -118.21 25.92 4.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 1.47 111.094 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -87.45 76.66 8.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.089 -0.505 . . . . 3.27 111.012 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -176.4 -19.63 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 1.6399999999999999 111.556 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -104.04 3.7 33.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.716 0.293 . . . . 1.46 111.045 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.531 ' HA ' HG21 ' A' ' 77' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 1.6200000000000001 111.225 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.9 ptm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.78 0.324 . . . . 1.3600000000000001 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.77 145.43 9.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 1.29 111.128 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -55.72 -26.72 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 1.26 110.739 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -54.63 -38.94 67.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 3.2200000000000002 110.606 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -40.12 94.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 2.1699999999999999 110.782 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.42 108.75 1.13 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.024 -0.534 . . . . 1.53 111.08 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HB2' HG22 ' A' ' 20' ' ' VAL . 51.6 Cg_exo -52.21 128.8 28.65 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.349 2.033 . . . . 0.53000000000000003 112.329 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.602 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -62.45 -49.9 81.45 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.173 -0.467 . . . . 2.23 111.685 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.1 Cg_endo -53.35 -30.41 52.34 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.142 1.894 . . . . 0.93000000000000005 112.366 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 17' ' ' PRO . 40.7 t -86.25 -37.82 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 1.26 110.79 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HE ' ' HB3' ' A' ' 66' ' ' LEU . 4.7 ttp180 -61.06 -34.4 74.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.994 -0.548 . . . . 4.3099999999999996 110.787 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -24.12 49.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 1.22 111.223 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -67.14 -46.45 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 2.6499999999999999 110.576 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.6 tp -72.4 -37.89 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 2.1299999999999999 110.651 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.7 m -59.59 -39.42 84.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.92000000000000004 110.188 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.92 99.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 1.21 110.515 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -60.07 -51.33 70.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.451 -0.795 . . . . 0.92000000000000004 110.683 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 28' ' ' LEU . 4.5 mm? -59.58 -36.4 76.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.847 -0.615 . . . . 1.6599999999999999 111.077 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.0 -32.97 74.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 1.21 110.899 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.79 81.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.3100000000000001 111.132 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -9.88 58.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 1.6899999999999999 111.05 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 55.12 57.06 5.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 2.0299999999999998 110.979 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.85 31.27 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 1.3100000000000001 110.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -70.1 -35.93 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.57999999999999996 110.87 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.6 -30.32 71.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 2.8199999999999998 110.874 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -71.96 -29.36 64.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 3.29 110.861 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.65 -59.66 3.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.368 -0.378 . . . . 1.27 110.263 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.87 38.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 1.0700000000000001 111.194 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -61.28 -35.74 78.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 1.22 111.397 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.36 -33.27 65.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.4 -0.364 . . . . 1.1499999999999999 111.047 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 m -103.39 1.57 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 1.1699999999999999 110.585 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.53 93.08 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.685 -0.688 . . . . 2.6099999999999999 111.346 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.95 156.03 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 1.5800000000000001 110.69 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -69.86 128.77 91.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 1.6799999999999999 110.817 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.56 -24.04 34.73 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.392 2.061 . . . . 1.78 112.437 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -37.97 68.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.429 . . . . 2.0099999999999998 110.787 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -36.46 45.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.96 110.849 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.3 t -64.87 -24.97 36.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 1.5 110.935 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.48 -32.62 70.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.976 -0.556 . . . . 2.4399999999999999 111.016 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -59.64 -33.66 71.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 2.1200000000000001 110.984 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.7 mt -75.91 -51.83 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 1.1200000000000001 111.306 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -43.78 72.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 1.8100000000000001 111.272 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -58.55 -57.17 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.47 111.368 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -61.85 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 2.5 110.83 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HG3' ' HB3' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -60.46 -33.7 72.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 2.2999999999999998 111.16 -179.686 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 3.7000000000000002 111.185 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.02 0.438 . . . . 1.99 110.794 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB3' ' HG3' ' A' ' 55' ' ' LYS . . . -61.22 -29.53 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.936 -0.575 . . . . 1.1200000000000001 111.181 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -64.81 -36.13 83.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.97999999999999998 111.054 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -53.01 62.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 2.3199999999999998 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.561 ' HG3' ' HG2' ' A' ' 54' ' ' GLN . 15.2 mm-40 -64.39 -42.26 96.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 1.72 110.902 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -56.61 -44.3 81.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.60999999999999999 110.797 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.429 ' HB3' ' HE ' ' A' ' 21' ' ' ARG . 1.1 mm? -65.35 -33.95 77.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 1.3100000000000001 111.197 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.52 -52.64 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 1.8899999999999999 111.631 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.62 -50.11 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 1.2 111.872 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -70.11 -63.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.69999999999999996 111.009 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.6 87.21 1.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.65 -0.786 . . . . 1.0800000000000001 112.562 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 158.53 -34.03 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 1.54 112.526 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -96.36 -39.5 9.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 2.5099999999999998 111.03 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -81.0 -2.16 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 1.8400000000000001 110.946 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 55.49 47.52 20.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.028 0.442 . . . . 3.6400000000000001 110.7 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.79 -163.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 3.3500000000000001 111.019 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 61.6 p -143.64 161.98 37.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.37 -0.377 . . . . 1.5600000000000001 110.854 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.95 -14.55 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.995 -0.548 . . . . 1.8300000000000001 111.787 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -58.27 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 2.27 111.12 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.0 m -53.75 -36.74 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 1.28 111.379 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.16 -38.21 85.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 1.22 110.852 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -61.41 -58.33 8.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.84999999999999998 110.853 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.83 -18.03 58.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.938 -0.574 . . . . 1.24 111.437 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.83 -59.96 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 1.8600000000000001 111.028 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.408 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 26.2 m-85 -57.86 -27.27 63.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.233 -0.44 . . . . 0.55000000000000004 111.181 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -53.1 -35.68 59.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 2.1200000000000001 110.934 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -40.71 84.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 2.7799999999999998 110.892 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -93.33 -0.44 56.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 2.1800000000000002 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 56.46 46.01 21.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 3.4199999999999999 110.908 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 80.0 mt -89.3 76.47 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.9399999999999999 110.917 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -33.87 60.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 2.4100000000000001 111.022 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.91 -50.41 66.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 2.0499999999999998 111.097 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.12 -37.67 61.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 1.1799999999999999 111.381 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.0 mtt -59.91 -45.28 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 1.9199999999999999 111.131 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -58.25 -20.76 44.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 3.8900000000000001 111.637 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 92' ' ' ALA . 0.6 OUTLIER -76.88 -36.24 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.567 -0.288 . . . . 1.46 111.196 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.92 64.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 1.47 111.411 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -103.05 -49.12 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 3.27 110.648 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.82 10.35 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 1.6399999999999999 111.318 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' A' ' 97' ' ' LYS . 92.1 m-85 -113.99 -6.55 13.15 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.203 0.445 . . . . 1.46 112.203 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.834 0.349 . . . . 1.6200000000000001 111.137 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.7 ptm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.654 0.264 . . . . 1.3600000000000001 111.185 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.35 153.02 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.29 110.654 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -53.7 -27.85 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 1.26 110.632 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -33.73 64.87 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.056 -0.52 . . . . 3.2200000000000002 110.716 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -40.86 83.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.449 . . . . 2.1699999999999999 110.493 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.06 109.58 1.55 Allowed Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 115.969 -0.56 . . . . 1.53 110.75 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HB2' HG23 ' A' ' 20' ' ' VAL . 49.9 Cg_exo -56.22 132.55 52.61 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.348 2.032 . . . . 0.53000000000000003 112.266 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.9 tp -60.41 -47.86 95.31 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.036 -0.529 . . . . 2.23 111.59 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 72.8 Cg_exo -50.06 -30.98 26.45 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.123 1.882 . . . . 0.93000000000000005 112.47 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG23 ' HB2' ' A' ' 17' ' ' PRO . 24.3 t -86.14 -36.9 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 1.26 111.03 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.539 ' HA ' HH11 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.78 -36.58 79.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 4.3099999999999996 110.805 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.99 -17.81 19.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.037 -0.529 . . . . 1.22 111.564 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.34 -64.05 0.93 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.459 -0.337 . . . . 2.6499999999999999 111.131 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HG ' HD21 ' A' ' 28' ' ' LEU . 47.8 tp -70.45 -29.04 65.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 2.1299999999999999 111.087 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.5 m -60.7 -46.2 91.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.393 . . . . 0.92000000000000004 110.441 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.32 93.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.538 . . . . 1.21 110.835 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -59.12 -55.5 34.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.57 -0.741 . . . . 0.92000000000000004 111.162 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.494 HD21 ' HG ' ' A' ' 24' ' ' LEU . 4.6 mm? -60.48 -46.37 90.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 1.6599999999999999 111.254 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.04 -18.99 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 1.21 111.319 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.05 86.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 1.3100000000000001 110.933 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.74 0.16 11.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 1.6899999999999999 110.968 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.05 46.58 16.07 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.169 -0.469 . . . . 2.0299999999999998 110.711 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.77 22.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.869 -0.605 . . . . 1.3100000000000001 111.275 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 -58.23 -30.09 66.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.57999999999999996 110.959 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.27 -28.27 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 2.8199999999999998 110.882 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.28 -38.06 68.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 3.29 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.7 mt -60.93 -58.49 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.35 -0.386 . . . . 1.27 110.955 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.8 -58.1 6.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 1.0700000000000001 111.617 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -60.93 -32.94 72.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 1.22 111.91 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.06 -34.39 65.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.768 0.318 . . . . 1.1499999999999999 111.32 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.1 m -102.64 3.79 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.303 -0.408 . . . . 1.1699999999999999 110.847 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.76 93.17 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.949 -0.569 . . . . 2.6099999999999999 110.981 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -120.13 161.86 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 1.5800000000000001 110.93 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -69.47 136.71 88.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.6799999999999999 110.465 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -57.78 -18.05 32.29 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.472 2.114 . . . . 1.78 112.206 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.83 -34.66 62.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.504 . . . . 2.0099999999999998 110.547 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.77 -38.82 45.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 1.96 110.468 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.7 t -63.76 -42.36 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 1.5 110.643 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -41.08 94.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.546 . . . . 2.4399999999999999 110.575 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.03 -43.31 95.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.831 -0.622 . . . . 2.1200000000000001 110.858 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 mt -62.97 -49.64 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 1.1200000000000001 111.246 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 t -53.76 -38.28 64.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 1.8100000000000001 111.178 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -59.19 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 1.47 111.212 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.86 -31.2 70.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 2.5 111.199 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' HG3' ' HB3' ' A' ' 61' ' ' ALA . 1.5 ttmt -59.94 -40.74 89.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 2.2999999999999998 110.952 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 3.7000000000000002 111.289 -179.79 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.768 0.318 . . . . 1.99 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB3' ' HG3' ' A' ' 55' ' ' LYS . . . -61.31 -36.96 81.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 1.1200000000000001 111.197 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.8 m -65.32 -40.47 93.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.97999999999999998 110.769 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.47 -52.02 66.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 2.3199999999999998 110.611 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.21 -37.4 87.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 1.72 110.701 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.98 -46.59 84.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.066 -0.515 . . . . 0.60999999999999999 110.662 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.91 -30.78 71.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 1.3100000000000001 110.867 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -62.71 -64.04 1.04 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 1.8899999999999999 110.941 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.76 -39.78 80.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 1.2 111.316 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -71.45 -18.44 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.69999999999999996 110.673 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.24 56.21 0.49 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.946 -0.645 . . . . 1.0800000000000001 112.499 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.47 -37.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 1.54 112.469 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.41 -26.95 26.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 2.5099999999999998 110.787 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -111.9 -25.57 9.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 1.8400000000000001 110.767 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 57.25 47.74 16.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 3.6400000000000001 111.125 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -77.07 150.36 35.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 3.3500000000000001 110.474 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.1 p -88.08 171.7 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.364 . . . . 1.5600000000000001 111.205 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.4 m -63.03 -20.67 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 1.8300000000000001 111.116 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.4 -54.47 43.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 2.27 110.66 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 m -55.6 -35.34 65.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 1.28 111.001 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 58.5 tp -61.13 -35.21 76.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 1.22 110.728 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -62.3 -52.77 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.84999999999999998 110.87 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.01 -17.91 58.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.988 -0.551 . . . . 1.24 111.687 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 51.3 tp -65.75 -64.2 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.425 -0.352 . . . . 1.8600000000000001 111.0 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -58.57 -26.96 64.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.55000000000000004 111.218 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -53.96 -25.35 20.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.244 -0.435 . . . . 2.1200000000000001 111.112 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -58.44 -47.33 84.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 2.7799999999999998 111.218 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -93.23 2.32 56.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.378 . . . . 2.1800000000000002 111.107 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? 56.36 52.87 9.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 3.4199999999999999 110.999 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mt -88.92 80.69 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.9399999999999999 110.813 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -54.13 -29.54 45.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 2.4100000000000001 111.138 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -72.58 -55.68 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 2.0499999999999998 111.067 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.98 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 1.1799999999999999 111.319 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.9 mtp -58.93 -56.0 27.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 1.9199999999999999 111.003 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -57.46 -26.03 60.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.936 -0.574 . . . . 3.8900000000000001 111.301 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -34.61 78.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.43 -0.35 . . . . 1.46 111.335 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.44 HG21 HD21 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -122.53 30.73 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 1.47 111.633 -179.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.45 -18.48 29.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.348 . . . . 3.27 110.677 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -67.3 -5.66 15.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 1.6399999999999999 111.118 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.23 -38.74 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 1.46 110.848 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 1.6200000000000001 110.773 179.655 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.668 0.27 . . . . 1.3600000000000001 110.859 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HB1' ' HG2' ' A' ' 14' ' ' ARG . . . -50.65 154.85 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 1.29 111.175 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 ' HA3' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -55.1 -29.44 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.67 . . . . 1.26 110.927 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.466 ' HG2' ' HB1' ' A' ' 12' ' ' ALA . 10.0 ptm180 -55.64 -31.3 62.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.353 -0.385 . . . . 3.2200000000000002 110.806 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.93 -38.38 61.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 2.1699999999999999 110.741 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.33 113.13 3.98 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.083 -0.508 . . . . 1.53 110.878 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.17 124.15 15.29 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.369 2.046 . . . . 0.53000000000000003 112.204 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -54.07 -49.73 88.28 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.117 -0.492 . . . . 2.23 111.758 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.9 Cg_endo -50.98 -27.77 22.15 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.329 2.019 . . . . 0.93000000000000005 112.586 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.6 t -85.59 -37.54 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 1.26 110.944 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.434 HH22 HD22 ' A' ' 24' ' ' LEU . 1.7 mmp_? -61.13 -40.8 95.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 4.3099999999999996 110.951 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -20.75 25.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.999 -0.546 . . . . 1.22 111.778 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -55.83 11.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.509 -0.314 . . . . 2.6499999999999999 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.555 ' HG ' HD23 ' A' ' 28' ' ' LEU . 42.8 tp -70.15 -34.41 72.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.375 . . . . 2.1299999999999999 110.509 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.8 m -59.87 -38.38 82.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.92000000000000004 110.282 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.96 95.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 1.21 110.608 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -60.86 -50.23 74.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.762 -0.653 . . . . 0.92000000000000004 110.694 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.555 HD23 ' HG ' ' A' ' 24' ' ' LEU . 4.5 mm? -60.0 -22.23 62.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.799 -0.637 . . . . 1.6599999999999999 111.121 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -72.63 -35.62 67.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 1.21 110.965 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.58 76.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 1.3100000000000001 111.043 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mp -72.0 -10.96 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.6899999999999999 111.086 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 54.46 34.88 21.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.139 -0.482 . . . . 2.0299999999999998 110.81 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 m -108.04 26.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 1.3100000000000001 111.245 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 31.5 p-90 -66.81 -38.14 85.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.57999999999999996 110.945 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -29.12 70.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 2.8199999999999998 111.035 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -71.89 -37.74 70.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 3.29 110.92 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.42 -56.77 16.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.387 -0.369 . . . . 1.27 110.606 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.9 -58.46 5.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.982 -0.554 . . . . 1.0700000000000001 111.531 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -60.32 -36.1 77.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 1.22 111.573 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.01 -34.9 66.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.848 0.356 . . . . 1.1499999999999999 111.187 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.61 5.61 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 1.1699999999999999 110.868 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 tptt 57.74 96.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.036 -0.529 . . . . 2.6099999999999999 110.997 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mt -119.72 162.68 18.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 1.5800000000000001 110.868 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 78.4 m-85 -69.88 135.2 87.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 1.6799999999999999 110.685 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 36.1 Cg_exo -59.42 -21.05 59.45 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.503 2.135 . . . . 1.78 112.368 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -77.96 -26.0 48.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 2.0099999999999998 110.636 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -78.04 -30.78 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 1.96 110.584 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.39 -41.07 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 1.5 110.668 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -40.82 94.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 2.4399999999999999 110.795 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.99 -35.54 73.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 2.1200000000000001 110.945 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.8 mt -74.12 -56.28 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 1.1200000000000001 111.339 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -53.0 -32.35 45.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 1.8100000000000001 111.078 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 t -59.77 -68.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.47 111.153 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -62.75 -15.3 52.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 2.5 111.46 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.02 -58.27 9.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.475 -0.33 . . . . 2.2999999999999998 111.337 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.35 -0.386 . . . . 3.7000000000000002 111.405 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 1.99 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.55 -38.06 86.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 1.1200000000000001 111.454 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.4 m -64.69 -32.08 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.97999999999999998 111.337 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -60.84 -58.13 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 2.3199999999999998 111.199 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -64.49 -37.12 86.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.72 110.767 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -57.85 -41.54 82.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.60999999999999999 110.778 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -42.55 94.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 1.3100000000000001 111.308 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -62.74 -42.61 99.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.333 -0.394 . . . . 1.8899999999999999 111.541 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.0 mt -72.43 -51.07 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 1.2 111.72 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -70.75 -16.25 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.69999999999999996 110.932 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.462 ' HA3' HG23 ' A' ' 13' ' ' ILE . . . -132.08 57.81 0.71 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 1.0800000000000001 112.452 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.58 -45.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.737 -0.744 . . . . 1.54 112.587 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -102.19 -31.29 10.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.8 0.333 . . . . 2.5099999999999998 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -95.07 -22.7 17.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 1.8400000000000001 110.807 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t30 65.43 143.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.989 -0.551 . . . . 3.6400000000000001 111.151 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.68 -156.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 3.3500000000000001 110.853 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.525 ' HB ' ' HG2' ' A' ' 78' ' ' GLN . 0.6 OUTLIER -147.88 158.33 43.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.9 0.381 . . . . 1.5600000000000001 111.198 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.2 m -64.85 -31.87 55.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.03 -0.532 . . . . 1.8300000000000001 111.96 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.525 ' HG2' ' HB ' ' A' ' 76' ' ' THR . 7.2 pt20 -54.82 -49.26 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 2.27 111.049 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.1 m -55.92 -34.04 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 1.28 111.568 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.98 -39.23 88.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 1.22 111.143 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.36 -56.92 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.84999999999999998 110.952 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.541 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -61.99 -17.43 57.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 1.24 111.57 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.8 tp -67.63 -54.85 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.41 -0.359 . . . . 1.8600000000000001 111.509 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -57.62 -18.1 18.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.55000000000000004 111.851 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.541 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mmtm -53.53 -41.67 66.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 2.1200000000000001 110.988 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.46 -36.09 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 2.7799999999999998 111.244 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 mt -92.37 -7.3 48.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 2.1800000000000002 111.064 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.64 31.93 20.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 3.4199999999999999 111.215 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 73.5 mt -89.43 70.47 8.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 1.9399999999999999 110.715 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -54.34 -35.22 62.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 2.4100000000000001 111.294 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.451 ' HA ' ' HG3' ' A' ' 94' ' ' ARG . 14.1 p-10 -58.8 -47.28 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 2.0499999999999998 111.227 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.6 -43.34 72.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.442 . . . . 1.1799999999999999 111.349 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.8 mtt -59.42 -33.7 71.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 1.9199999999999999 111.367 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.451 ' HG3' ' HA ' ' A' ' 91' ' ' ASN . 3.5 mmm180 -58.63 -20.65 49.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 3.8900000000000001 111.559 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.452 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.6 mp -85.11 -21.74 29.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.49 -0.323 . . . . 1.46 111.292 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.98 64.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 1.47 111.235 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 99' ' ' TYR . 4.0 mttp -104.58 -52.45 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 3.27 111.002 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.92 6.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.6399999999999999 111.547 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.438 ' H ' ' C ' ' A' ' 97' ' ' LYS . 39.9 m-85 -108.73 -18.92 13.59 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.708 -0.224 . . . . 1.46 111.364 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 1.6200000000000001 111.372 -179.723 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.739 0.304 . . . . 1.3600000000000001 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.81 142.15 15.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.225 0.536 . . . . 1.29 111.351 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -57.53 -33.38 44.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.272 -0.876 . . . . 1.26 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -31.93 62.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.411 . . . . 3.2200000000000002 110.9 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.44 -33.09 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 2.1699999999999999 110.915 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 110.63 1.86 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 1.53 111.033 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.89 121.18 7.69 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.483 2.122 . . . . 0.53000000000000003 112.46 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.593 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.9 tp -58.21 -48.75 96.46 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.026 -0.534 . . . . 2.23 111.792 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.5 Cg_endo -53.86 -24.68 32.19 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.102 1.868 . . . . 0.93000000000000005 112.444 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -86.21 -42.55 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.403 -0.362 . . . . 1.26 110.706 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.34 -38.16 82.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 4.3099999999999996 110.887 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.42 -22.43 31.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 1.22 111.743 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -67.41 -35.28 78.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 2.6499999999999999 110.789 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 tt -90.6 -34.87 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 2.1299999999999999 110.889 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.1 m -59.26 -40.94 87.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.92000000000000004 110.445 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.07 97.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.961 -0.563 . . . . 1.21 110.85 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -62.4 -56.87 14.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.8 -0.636 . . . . 0.92000000000000004 111.17 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.69 -42.74 89.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.977 -0.556 . . . . 1.6599999999999999 111.223 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.08 -27.61 69.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 1.21 111.073 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.92 -36.72 80.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 1.3100000000000001 110.913 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mp -72.26 -0.06 11.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 1.6899999999999999 110.919 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 56.15 56.55 5.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.165 -0.471 . . . . 2.0299999999999998 110.8 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.39 23.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.541 . . . . 1.3100000000000001 111.221 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -58.81 -35.2 72.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.57999999999999996 110.996 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -28.29 69.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 2.8199999999999998 110.829 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.511 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.24 -32.12 66.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.015 -0.539 . . . . 3.29 110.427 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HG ' ' NE2' ' A' ' 36' ' ' GLN . 1.4 mt -67.66 -56.68 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 1.27 110.348 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.487 ' HA ' HD11 ' A' ' 43' ' ' LEU . . . -52.33 -56.37 15.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 1.0700000000000001 111.291 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.4 m -60.91 -32.63 72.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 1.22 111.667 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.97 63.46 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.575 -0.284 . . . . 1.1499999999999999 111.379 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG22 ' HG ' ' A' ' 43' ' ' LEU . 3.7 m -104.82 5.96 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.441 -0.345 . . . . 1.1699999999999999 111.222 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt 57.14 94.16 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.079 -0.51 . . . . 2.6099999999999999 111.11 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.487 HD11 ' HA ' ' A' ' 38' ' ' ALA . 81.3 mt -119.88 153.26 36.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 1.5800000000000001 110.971 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -69.27 131.8 90.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.6799999999999999 110.625 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.43 -13.28 16.27 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.456 2.104 . . . . 1.78 112.402 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -84.79 -36.35 21.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 2.0099999999999998 110.829 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -37.63 41.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 1.96 110.762 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.8 t -64.42 -23.4 33.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 1.5 110.967 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -30.5 68.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 2.4399999999999999 110.811 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -59.82 -42.01 92.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 2.1200000000000001 111.077 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.8 mt -70.29 -51.99 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 1.1200000000000001 111.312 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 p -53.34 -24.67 12.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 1.8100000000000001 111.181 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -57.4 -67.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 1.47 110.704 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -62.3 -32.05 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 2.5 110.749 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -59.97 -21.43 61.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 2.2999999999999998 111.2 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.335 -0.393 . . . . 3.7000000000000002 111.531 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.828 0.347 . . . . 1.99 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.83 83.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 1.1200000000000001 111.483 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 m -64.94 -37.06 86.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.327 -0.397 . . . . 0.97999999999999998 111.163 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.41 -54.7 42.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 2.3199999999999998 110.769 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.98 -37.68 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 1.72 110.582 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -56.32 -45.0 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.60999999999999999 110.719 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -42.06 96.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 1.3100000000000001 111.083 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -63.13 -27.63 69.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 1.8899999999999999 111.73 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.06 -32.44 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.814 0.301 . . . . 1.2 111.814 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -72.77 -20.86 61.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.474 -0.33 . . . . 0.69999999999999996 111.301 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.04 18.88 5.26 Favored Glycine 0 N--CA 1.454 -0.128 0 C-N-CA 120.686 -0.769 . . . . 1.0800000000000001 112.57 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.57 -3.88 18.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 1.54 112.599 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -152.12 3.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 2.5099999999999998 111.043 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -120.98 -29.33 4.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.428 . . . . 1.8400000000000001 111.11 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.5 120.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.485 . . . . 3.6400000000000001 110.843 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.23 -153.71 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 3.3500000000000001 110.997 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.474 ' HG1' ' HB2' ' A' ' 78' ' ' GLN . 59.1 p -143.63 158.85 43.36 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.84 0.352 . . . . 1.5600000000000001 111.154 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.37 -14.11 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 1.8300000000000001 111.743 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.474 ' HB2' ' HG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -57.96 -54.97 40.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 2.27 110.882 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.4 m -55.37 -34.89 64.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 1.28 110.992 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.5 tp -60.84 -35.04 75.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 1.22 110.791 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -62.1 -60.46 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.84999999999999998 111.056 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.65 -17.99 57.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.075 -0.512 . . . . 1.24 111.563 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.19 -60.97 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 1.8600000000000001 111.046 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -59.0 -32.13 69.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.456 -0.338 . . . . 0.55000000000000004 111.025 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -26.67 28.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.191 -0.459 . . . . 2.1200000000000001 111.496 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -57.99 -48.48 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 2.7799999999999998 111.076 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.44 3.51 55.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 2.1800000000000002 111.13 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt 56.51 53.29 8.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 3.4199999999999999 111.108 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.76 79.29 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 1.9399999999999999 110.672 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -34.3 57.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.937 -0.574 . . . . 2.4100000000000001 111.373 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -64.31 -58.96 5.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 2.0499999999999998 111.063 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.59 -33.36 60.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 1.1799999999999999 111.33 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.3 mmm -59.7 -59.08 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.9199999999999999 111.831 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -56.22 -24.66 43.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.587 -0.279 . . . . 3.8900000000000001 111.577 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -35.81 80.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 1.46 110.833 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.2 pt -121.9 40.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.309 -0.405 . . . . 1.47 111.062 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -99.99 54.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 3.27 111.117 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -172.91 8.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 1.6399999999999999 111.775 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -115.07 -0.91 13.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.808 0.337 . . . . 1.46 110.918 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 1.6200000000000001 111.103 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.489 ' HE2' ' HB3' ' A' ' 15' ' ' LEU . 3.3 ptm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.653 0.263 . . . . 1.3600000000000001 110.823 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.407 ' HA ' HG21 ' A' ' 76' ' ' THR . . . -51.55 157.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 1.29 111.15 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -27.83 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 1.26 110.685 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.24 -32.64 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 3.2200000000000002 110.473 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' HB3' ' HE2' ' A' ' 11' ' ' MET . 0.2 OUTLIER -65.73 -37.25 85.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.948 -0.569 . . . . 2.1699999999999999 110.496 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.535 HD21 HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -52.57 108.61 1.13 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.084 -0.507 . . . . 1.53 110.697 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.0 115.14 2.22 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.344 2.03 . . . . 0.53000000000000003 112.204 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.594 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.6 tp -54.55 -49.81 88.95 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.201 -0.454 . . . . 2.23 111.761 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.1 Cg_endo -51.75 -29.19 32.93 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.144 1.896 . . . . 0.93000000000000005 111.973 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -86.21 -34.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.052 -0.522 . . . . 1.26 110.465 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.584 HH12 HG23 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -60.5 -34.39 74.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 4.3099999999999996 110.608 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -25.35 48.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.672 . . . . 1.22 111.521 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.63 -47.82 68.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.407 -0.36 . . . . 2.6499999999999999 110.637 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.444 HD11 HD22 ' A' ' 95' ' ' LEU . 41.6 tp -75.12 -26.05 58.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 2.1299999999999999 110.65 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.0 m -61.77 -42.62 99.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.92000000000000004 110.361 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.68 88.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.578 . . . . 1.21 110.658 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -59.65 -54.99 39.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.92000000000000004 110.535 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -29.36 68.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.963 -0.562 . . . . 1.6599999999999999 110.983 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -37.42 87.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 1.21 110.845 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.93 78.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 1.3100000000000001 110.971 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -15.51 62.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 1.6899999999999999 110.848 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 54.83 35.08 23.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 2.0299999999999998 111.057 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -107.43 23.66 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 1.3100000000000001 111.144 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 52.0 p-90 -63.89 -36.43 83.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.57999999999999996 110.76 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -63.26 -32.27 73.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 2.8199999999999998 110.829 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -72.11 -32.25 66.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 3.29 111.076 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.33 -52.44 64.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 1.27 110.402 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.9 -60.93 2.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 1.0700000000000001 111.225 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -32.35 71.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 1.22 111.497 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.3 67.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.436 -0.347 . . . . 1.1499999999999999 111.284 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 m -103.66 6.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.384 -0.371 . . . . 1.1699999999999999 111.051 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 101.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.111 -0.495 . . . . 2.6099999999999999 111.12 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt -136.46 161.33 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 1.5800000000000001 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -69.76 139.97 88.87 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 1.6799999999999999 110.602 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -58.78 -20.04 49.64 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.374 2.049 . . . . 1.78 111.952 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.96 -29.29 67.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.494 . . . . 2.0099999999999998 110.454 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -77.87 -38.81 45.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 1.96 110.594 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.2 t -63.98 -43.75 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.5 110.792 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -36.2 78.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 2.4399999999999999 110.684 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -42.18 94.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 2.1200000000000001 110.833 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.2 mt -66.4 -53.55 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 1.1200000000000001 111.247 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -29.11 40.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 1.8100000000000001 111.359 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -68.82 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 1.47 111.166 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.01 -32.21 72.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 2.5 110.986 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -58.79 -30.44 67.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 2.2999999999999998 110.837 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 3.7000000000000002 111.104 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.803 0.335 . . . . 1.99 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.93 -33.1 72.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 1.1200000000000001 111.141 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 m -64.8 -38.0 89.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.97999999999999998 110.872 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -48.1 83.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 2.3199999999999998 110.854 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.16 -42.02 94.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 1.72 110.666 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -57.61 -47.93 80.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.60999999999999999 110.695 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 1.9 mm? -64.64 -28.89 69.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 1.3100000000000001 110.999 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.96 -47.96 78.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 1.8899999999999999 111.627 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.1 mt -79.55 -46.46 22.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.394 -0.366 . . . . 1.2 111.738 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -70.53 -19.73 62.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.69999999999999996 111.068 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -120.66 94.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.69 -0.767 . . . . 1.0800000000000001 112.524 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.12 -10.89 3.87 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.884 -0.674 . . . . 1.54 112.457 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -123.77 -18.45 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 2.5099999999999998 110.816 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -106.75 -9.47 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 1.8400000000000001 111.092 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 55.63 50.54 14.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 3.6400000000000001 110.919 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.47 -160.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 3.3500000000000001 110.959 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.407 HG21 ' HA ' ' A' ' 12' ' ' ALA . 28.8 p -147.01 159.56 43.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.321 -0.4 . . . . 1.5600000000000001 110.983 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.535 HG23 HD21 ' A' ' 16' ' ' LEU . 19.4 t -63.43 -27.94 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 1.8300000000000001 111.171 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.56 -50.73 71.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 2.27 111.039 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.1 m -55.27 -34.28 63.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 1.28 111.366 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.425 HD12 ' NH2' ' A' ' 21' ' ' ARG . 61.8 tp -61.48 -43.6 98.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 1.22 111.109 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.29 -59.24 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.84999999999999998 111.118 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.48 -19.95 62.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 1.24 111.689 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 tp -66.35 -55.59 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 1.8600000000000001 110.993 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -57.6 -28.77 63.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.55000000000000004 111.157 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -37.67 63.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.277 -0.42 . . . . 2.1200000000000001 111.097 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.53 -40.4 82.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 2.7799999999999998 111.114 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.33 -4.42 48.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 2.1800000000000002 111.058 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.87 54.43 8.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.166 -0.47 . . . . 3.4199999999999999 111.041 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 59.5 mt -89.65 82.43 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 1.9399999999999999 111.031 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -54.96 -24.31 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 2.4100000000000001 111.011 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -51.03 8.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 2.0499999999999998 111.1 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . . . -53.57 -40.85 65.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 1.1799999999999999 110.993 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.8 mtm -59.56 -61.94 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.9199999999999999 110.764 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.408 ' HA ' ' HG2' ' A' ' 97' ' ' LYS . 6.3 ptp180 -59.46 -13.67 9.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 3.8900000000000001 111.2 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.444 HD22 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -78.24 -32.74 49.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 1.46 110.9 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.584 HG23 HH12 ' A' ' 21' ' ' ARG . 0.7 OUTLIER -126.31 48.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.376 -0.375 . . . . 1.47 111.305 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 7.4 pttp -98.79 75.69 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 3.27 110.839 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -174.56 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 1.6399999999999999 111.191 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -102.01 0.51 35.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.771 0.32 . . . . 1.46 110.836 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.437 HG13 HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 1.6200000000000001 110.984 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.0 ptt? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.733 0.301 . . . . 1.3600000000000001 110.938 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.27 149.15 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 1.29 111.177 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -23.64 29.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.976 -0.556 . . . . 1.26 110.842 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -14.57 4.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 3.2200000000000002 110.865 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.05 -30.24 13.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.44 . . . . 2.1699999999999999 110.189 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.472 HD11 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.89 106.72 0.69 Allowed Pre-proline 0 C--O 1.231 0.113 0 CA-C-N 115.997 -0.547 . . . . 1.53 110.278 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.92 115.77 3.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.543 2.162 . . . . 0.53000000000000003 112.484 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.611 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.1 mt -53.95 -49.8 87.6 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.794 -0.639 . . . . 2.23 111.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 8.0 Cg_endo -49.78 -30.13 22.17 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.231 1.954 . . . . 0.93000000000000005 112.277 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.9 t -86.47 -36.36 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 1.26 110.698 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.472 ' HD2' HD11 ' A' ' 16' ' ' LEU . 2.9 tpt180 -60.14 -27.13 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.929 -0.578 . . . . 4.3099999999999996 110.865 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.14 -24.32 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 1.22 111.308 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.56 -44.87 77.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 2.6499999999999999 111.357 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.533 HD21 HD13 ' A' ' 95' ' ' LEU . 2.5 tm? -83.47 -26.65 30.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.436 -0.347 . . . . 2.1299999999999999 111.186 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 m -58.82 -45.82 89.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.954 0.407 . . . . 0.92000000000000004 110.588 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.0 99.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 1.21 110.821 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -58.4 -56.74 18.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.443 -0.799 . . . . 0.92000000000000004 111.127 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 28' ' ' LEU . 2.7 mm? -60.03 -34.62 73.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 1.6599999999999999 110.993 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -64.31 -35.19 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.51 . . . . 1.21 110.859 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.61 76.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 1.3100000000000001 110.999 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.57 -12.12 61.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 1.6899999999999999 110.752 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t0 54.73 43.26 30.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.057 -0.52 . . . . 2.0299999999999998 110.925 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -118.4 22.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 1.3100000000000001 111.265 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -59.84 -37.35 78.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.57999999999999996 110.867 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -35.79 81.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 2.8199999999999998 111.002 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -8.98 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 3.29 111.036 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.98 -58.65 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 1.27 109.996 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -55.21 24.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.574 . . . . 1.0700000000000001 110.927 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 m -61.19 -33.4 73.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.971 -0.559 . . . . 1.22 111.503 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.28 -34.95 64.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.406 -0.361 . . . . 1.1499999999999999 111.383 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.4 m -103.2 4.97 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 1.1699999999999999 110.949 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.93 103.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.867 -0.606 . . . . 2.6099999999999999 111.325 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.43 HD21 ' HH ' ' A' ' 73' ' ' TYR . 7.9 mt -130.97 164.5 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.5800000000000001 110.791 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -69.06 158.06 87.54 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 1.6799999999999999 110.687 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -72.77 -31.24 10.65 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.454 2.103 . . . . 1.78 111.795 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' GLN . 10.4 m-20 -63.63 -28.16 69.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.878 -0.601 . . . . 2.0099999999999998 110.35 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -78.22 -43.92 27.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 1.96 110.558 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.404 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.8 t -63.91 -49.84 80.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 1.5 110.465 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.64 -33.79 73.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 2.4399999999999999 110.318 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -58.02 -42.95 86.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.904 -0.589 . . . . 2.1200000000000001 110.734 179.513 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 48' ' ' VAL . 6.7 mt -68.7 -43.37 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 1.1200000000000001 110.867 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.5 t -54.93 -25.44 29.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 1.8100000000000001 111.298 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -57.51 -69.04 0.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.328 -0.397 . . . . 1.47 110.952 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.26 -39.17 93.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 2.5 110.896 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -22.99 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 2.2999999999999998 111.119 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 3.7000000000000002 111.598 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.456 ' H ' ' HG ' ' A' ' 60' ' ' SER . 2.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.82 0.343 . . . . 1.99 110.951 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.38 80.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 1.1200000000000001 111.295 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -64.86 -35.9 82.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.97999999999999998 111.034 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -52.12 66.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 2.3199999999999998 110.517 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -66.57 -35.29 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.399 . . . . 1.72 110.39 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -57.94 -49.97 74.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 0.60999999999999999 110.901 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.38 -32.96 74.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 1.3100000000000001 110.959 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.57 -17.67 63.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 1.8899999999999999 111.159 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.04 -50.53 9.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.4 -0.364 . . . . 1.2 111.517 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -71.58 -12.36 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.69999999999999996 110.958 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.22 98.33 0.66 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.762 -0.732 . . . . 1.0800000000000001 112.653 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.29 -22.5 3.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 1.54 112.769 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -106.45 -32.76 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.708 0.29 . . . . 2.5099999999999998 111.121 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.43 ' HH ' HD21 ' A' ' 43' ' ' LEU . 91.1 m-85 -99.12 -17.92 17.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.8400000000000001 111.154 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 m120 56.34 53.84 8.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.03 0.443 . . . . 3.6400000000000001 110.613 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -163.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 3.3500000000000001 110.873 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.5 p -141.71 162.95 34.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.338 . . . . 1.5600000000000001 111.006 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.61 -13.81 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 1.8300000000000001 111.283 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.15 -63.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.411 . . . . 2.27 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.8 m -54.22 -30.9 51.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 1.28 111.355 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.57 -47.49 85.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 1.22 110.83 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -61.98 -53.75 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.84999999999999998 110.918 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.67 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 1.24 111.637 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.3 tp -67.03 -50.13 62.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 1.8600000000000001 111.018 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -58.98 -22.98 61.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.55000000000000004 111.558 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.45 -21.41 9.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.509 -0.314 . . . . 2.1200000000000001 111.389 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -58.77 -61.71 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 2.7799999999999998 111.223 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.66 2.79 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 2.1800000000000002 110.887 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm 52.97 66.67 1.16 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 3.4199999999999999 110.105 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mp -88.19 89.21 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 1.9399999999999999 110.899 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -53.48 -48.45 68.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 2.4100000000000001 111.583 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -59.66 -55.87 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 2.0499999999999998 111.38 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.75 -38.03 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 1.1799999999999999 111.387 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 mtm -60.02 -64.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 1.9199999999999999 111.441 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.584 ' HA ' ' HG3' ' A' ' 97' ' ' LYS . 6.2 ptm180 -58.26 -17.99 23.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.271 -0.422 . . . . 3.8900000000000001 111.673 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.533 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -68.72 -32.14 71.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.553 -0.294 . . . . 1.46 111.214 -179.651 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.3 pp -127.69 32.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 1.47 111.437 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.584 ' HG3' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -66.66 -51.68 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.385 . . . . 3.27 110.967 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.99 13.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 1.6399999999999999 111.816 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.489 ' H ' ' C ' ' A' ' 97' ' ' LYS . 43.4 m-85 -113.24 -13.37 12.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.587 0.232 . . . . 1.46 111.428 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 1.6200000000000001 111.174 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.852 0.358 . . . . 1.3600000000000001 111.066 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.32 164.39 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.068 -0.514 . . . . 1.29 111.198 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -24.07 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.788 -0.642 . . . . 1.26 110.624 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -31.22 62.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.176 -0.466 . . . . 3.2200000000000002 110.216 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.06 -39.3 50.35 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.839 -0.619 . . . . 2.1699999999999999 109.587 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.97 106.94 0.73 Allowed Pre-proline 0 C--O 1.231 0.103 0 CA-C-N 115.617 -0.72 . . . . 1.53 110.302 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.442 ' HB2' HG22 ' A' ' 20' ' ' VAL . 36.6 Cg_exo -59.92 102.37 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.454 2.103 . . . . 0.53000000000000003 112.198 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.404 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -54.09 -48.38 94.31 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 115.863 -0.608 . . . . 2.23 111.919 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 84.9 Cg_exo -46.82 -33.3 13.8 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.225 1.95 . . . . 0.93000000000000005 112.424 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 17' ' ' PRO . 10.8 t -86.79 -42.75 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 1.26 110.672 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -60.27 -20.34 58.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 4.3099999999999996 110.563 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.89 -23.38 44.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.617 -0.72 . . . . 1.22 111.424 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -67.22 -34.35 77.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 2.6499999999999999 110.381 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 24' ' ' LEU . 42.9 tp -79.37 -34.22 42.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.038 -0.528 . . . . 2.1299999999999999 110.571 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.5 m -60.42 -48.39 81.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.032 0.444 . . . . 0.92000000000000004 110.173 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.12 -38.56 86.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.806 -0.634 . . . . 1.21 110.493 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.17 -54.15 50.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.495 -0.775 . . . . 0.92000000000000004 110.726 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD22 ' HG ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.8 -31.0 69.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.839 -0.618 . . . . 1.6599999999999999 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.41 -28.59 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 1.21 110.991 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.39 69.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.3100000000000001 111.101 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -14.77 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 1.6899999999999999 111.041 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 56.59 66.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 2.0299999999999998 111.025 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 m -135.42 25.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 1.3100000000000001 111.023 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.44 ' HA ' HD13 ' A' ' 37' ' ' LEU . 27.0 p-90 -60.58 -37.67 82.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.04 -0.527 . . . . 0.57999999999999996 110.952 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -31.53 72.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 2.8199999999999998 110.765 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -31.67 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 3.29 110.687 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 34' ' ' TRP . 10.7 mt -62.95 -58.74 6.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 1.27 110.478 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 -57.12 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 1.0700000000000001 111.462 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -60.52 -32.12 71.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 1.22 111.882 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 37' ' ' LEU . . . -55.08 -34.68 63.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.76 0.314 . . . . 1.1499999999999999 111.051 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 83' ' ' LEU . 2.9 m -105.42 2.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 1.1699999999999999 110.688 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.75 97.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.796 -0.638 . . . . 2.6099999999999999 111.209 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 mt -125.16 167.63 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 1.5800000000000001 111.154 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -69.74 160.91 77.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 1.6799999999999999 110.618 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -72.03 -37.05 5.18 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.432 2.088 . . . . 1.78 111.982 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.77 -24.87 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.943 -0.571 . . . . 2.0099999999999998 110.623 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -79.3 -49.98 11.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 1.96 110.723 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.12 -48.94 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.5 110.836 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.63 -37.61 79.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 2.4399999999999999 110.504 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.93 -35.15 68.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.064 -0.516 . . . . 2.1200000000000001 110.653 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -71.38 -37.91 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 1.1200000000000001 110.97 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 t -53.73 -39.05 64.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 1.8100000000000001 111.15 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.0 m -59.74 -62.89 1.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 1.47 110.859 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -62.48 -19.14 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.033 -0.53 . . . . 2.5 111.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -61.81 -61.75 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 2.2999999999999998 111.23 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.178 -0.464 . . . . 3.7000000000000002 111.387 -179.645 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.869 0.366 . . . . 1.99 110.901 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.04 -51.02 70.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 1.1200000000000001 111.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -32.95 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.97999999999999998 110.842 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -55.61 31.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 2.3199999999999998 110.669 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -64.81 -35.58 81.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 1.72 110.468 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.04 -48.22 80.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.834 -0.621 . . . . 0.60999999999999999 110.846 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.52 -29.5 70.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 1.3100000000000001 110.983 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -63.35 -17.61 62.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 1.8899999999999999 111.254 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.9 mt -108.97 -52.4 6.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 1.2 111.536 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -70.7 -40.89 72.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.453 -0.34 . . . . 0.69999999999999996 110.831 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.64 71.77 1.1 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.884 -0.675 . . . . 1.0800000000000001 112.312 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 174.62 -62.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.84 -0.695 . . . . 1.54 112.276 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -70.74 -20.39 62.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 2.5099999999999998 110.729 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -95.6 -19.67 19.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.006 -0.543 . . . . 1.8400000000000001 110.854 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 57.16 38.16 28.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 3.6400000000000001 110.767 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.36 150.06 35.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 3.3500000000000001 110.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.9 p -89.35 168.16 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 1.5600000000000001 111.065 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.77 -20.4 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 1.8300000000000001 111.07 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -59.48 -57.56 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 2.27 110.99 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 m -54.93 -33.96 62.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.28 111.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.8 tp -60.42 -39.46 87.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 1.22 110.897 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.06 -50.36 72.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.84999999999999998 110.868 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.65 -25.55 67.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 1.24 111.478 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 41' ' ' VAL . 22.0 tp -65.66 -54.07 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 1.8600000000000001 111.05 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -58.32 -28.96 65.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.36 . . . . 0.55000000000000004 111.173 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -38.81 63.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 2.1200000000000001 110.705 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -60.02 -38.86 83.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 2.7799999999999998 110.849 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.52 14.96 15.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.123 -0.489 . . . . 2.1800000000000002 110.936 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt 39.32 45.3 1.17 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.987 -0.551 . . . . 3.4199999999999999 111.643 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.1 mt -90.07 70.94 7.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.111 -0.495 . . . . 1.9399999999999999 110.855 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.42 -33.53 54.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 2.4100000000000001 111.154 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -55.07 12.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 2.0499999999999998 111.174 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.42 35.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 1.1799999999999999 111.5 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.2 mtt -59.71 -61.16 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 1.9199999999999999 111.264 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.543 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 1.4 ptm180 -58.31 -18.26 25.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.28 -0.418 . . . . 3.8900000000000001 111.393 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -30.85 66.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 1.46 111.236 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.2 pt -116.69 7.5 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 1.47 111.486 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.543 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -70.44 -20.55 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 3.27 110.828 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -5.11 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 1.6399999999999999 111.456 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -107.81 -41.13 5.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.553 -0.294 . . . . 1.46 111.233 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 1.6200000000000001 110.858 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.349 . . . . 1.3600000000000001 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.58 137.71 24.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 1.29 111.231 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.5 ' HA ' HD22 ' A' ' 16' ' ' LEU . 11.8 mt -53.99 -27.41 16.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.744 -0.662 . . . . 1.26 110.965 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.436 ' HD2' ' ND2' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -55.56 -30.42 60.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.338 -0.392 . . . . 3.2200000000000002 110.872 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.83 -28.59 33.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 2.1699999999999999 111.119 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 13' ' ' ILE . 3.5 mm? -52.66 117.72 11.5 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.279 -0.419 . . . . 1.53 110.714 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.55 122.2 10.86 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.563 2.175 . . . . 0.53000000000000003 112.743 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.618 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -74.48 -49.03 5.2 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.889 -0.596 . . . . 2.23 111.65 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.3 Cg_endo -53.34 -26.62 35.69 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.261 1.974 . . . . 0.93000000000000005 112.693 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.0 t -85.85 -46.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 1.26 110.76 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -61.42 -14.39 27.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 4.3099999999999996 110.885 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.0 -31.37 63.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 1.22 111.166 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.94 80.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 2.6499999999999999 110.836 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tt -72.75 -40.62 65.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 2.1299999999999999 110.799 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.7 m -59.97 -45.42 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 0.92000000000000004 110.025 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.16 89.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.72 -0.673 . . . . 1.21 110.64 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -60.4 -54.55 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.568 -0.742 . . . . 0.92000000000000004 110.81 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.83 -32.65 70.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.806 -0.634 . . . . 1.6599999999999999 111.168 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -61.33 -33.13 73.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 1.21 110.965 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.72 79.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 1.3100000000000001 111.107 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.482 ' HB3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -71.24 -12.26 61.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 1.6899999999999999 111.025 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 54.9 34.57 22.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 2.0299999999999998 111.219 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 31' ' ' LEU . 27.7 m -108.36 22.6 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 1.3100000000000001 111.076 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -64.05 -36.74 84.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.57999999999999996 111.089 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.24 -32.56 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 2.8199999999999998 110.791 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.87 -27.74 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 3.29 110.812 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 HD21 HD23 ' A' ' 83' ' ' LEU . 1.7 mt -65.29 -57.08 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 1.27 110.364 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.18 -55.75 16.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.939 -0.573 . . . . 1.0700000000000001 111.055 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -60.79 -33.8 73.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.966 -0.561 . . . . 1.22 111.501 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.33 -35.12 64.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.38 . . . . 1.1499999999999999 111.378 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -105.76 6.32 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 1.1699999999999999 111.096 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.4 85.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.045 -0.525 . . . . 2.6099999999999999 110.841 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.41 163.93 14.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 1.5800000000000001 111.027 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -69.98 131.0 89.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 1.6799999999999999 110.666 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.3 -21.47 44.34 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.45 2.1 . . . . 1.78 112.199 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -33.41 75.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 2.0099999999999998 110.685 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -77.46 -34.29 54.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 1.96 110.664 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.7 t -63.72 -36.65 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 1.5 111.001 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.36 -46.77 88.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 2.4399999999999999 111.058 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -37.79 78.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 2.1200000000000001 111.286 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.9 -62.62 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.432 -0.349 . . . . 1.1200000000000001 111.115 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -53.18 -28.4 26.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.203 -0.453 . . . . 1.8100000000000001 111.081 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -58.63 -65.82 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 1.47 110.907 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.92 -33.73 74.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 2.5 110.84 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.502 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.7 tmmt? -59.59 -22.15 61.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 2.2999999999999998 111.064 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 3.7000000000000002 111.477 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.497 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . 1.3 m . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 121.043 0.449 . . . . 1.99 110.856 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.502 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -60.29 -37.72 81.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 1.1200000000000001 111.505 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.8 m -64.82 -37.02 86.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.97999999999999998 111.038 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.497 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 2.4 t-20 -61.39 -53.88 50.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 2.3199999999999998 110.852 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -64.61 -37.0 86.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.72 110.581 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.77 -48.66 79.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.60999999999999999 110.776 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.98 -36.36 83.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 1.3100000000000001 111.031 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -62.81 -21.89 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 1.8899999999999999 111.414 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.8 mt -97.32 -53.43 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.43 -0.35 . . . . 1.2 111.397 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -71.27 -54.02 12.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.69999999999999996 110.756 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.76 91.41 1.72 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.783 -0.722 . . . . 1.0800000000000001 112.382 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 157.18 -49.27 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.822 -0.704 . . . . 1.54 112.394 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -86.39 -47.32 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 2.5099999999999998 110.682 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -70.14 -20.13 63.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 1.8400000000000001 110.605 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' ND2' ' HD2' ' A' ' 14' ' ' ARG . 9.8 t-20 57.02 53.17 8.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 3.6400000000000001 111.052 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -78.37 177.68 8.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 3.3500000000000001 110.957 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.5 p -98.49 159.35 15.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.799 -0.637 . . . . 1.5600000000000001 111.398 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.94 -32.57 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 1.8300000000000001 111.014 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -59.81 -42.77 94.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.029 -0.532 . . . . 2.27 111.188 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -45.37 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 1.28 111.19 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp -61.78 -40.57 95.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 1.22 111.289 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.93 -58.65 7.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.84999999999999998 111.299 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.36 -23.54 64.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 1.24 111.415 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.412 HD23 HD21 ' A' ' 37' ' ' LEU . 51.0 tp -66.58 -45.7 78.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.8600000000000001 110.973 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -58.64 -35.57 72.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.55000000000000004 111.041 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -53.36 -29.19 33.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 2.1200000000000001 111.302 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -45.41 87.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 2.7799999999999998 110.813 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.465 HD12 HD11 ' A' ' 89' ' ' LEU . 51.9 mt -94.14 3.88 54.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 2.1800000000000002 111.028 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 56.95 48.45 15.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 3.4199999999999999 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.465 HD11 HD12 ' A' ' 87' ' ' LEU . 5.0 mt -90.09 75.69 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.9399999999999999 110.874 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.0 -29.2 42.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 2.4100000000000001 111.082 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -70.38 -53.58 16.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 2.0499999999999998 110.86 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.86 -34.21 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 1.1799999999999999 111.32 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.0 mtm -60.04 -63.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 1.9199999999999999 111.442 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -16.2 10.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.197 -0.456 . . . . 3.8900000000000001 111.653 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -40.57 71.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.743 0.306 . . . . 1.46 110.857 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -126.72 54.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 1.47 111.145 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' C ' ' H ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -90.5 -39.77 12.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 3.27 111.069 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.5 3.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 1.6399999999999999 111.401 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.404 ' H ' ' C ' ' A' ' 97' ' ' LYS . 91.7 m-85 -108.9 -10.42 15.09 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.794 0.294 . . . . 1.46 111.794 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.671 0.272 . . . . 1.6200000000000001 111.017 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.861 0.362 . . . . 1.3600000000000001 110.948 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.04 145.26 10.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 1.29 111.174 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mt -53.54 -28.1 15.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 1.26 110.758 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -41.03 69.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 3.2200000000000002 110.622 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -38.39 90.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 2.1699999999999999 110.676 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.539 ' HG ' HH11 ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.42 110.69 1.92 Allowed Pre-proline 0 C--O 1.232 0.164 0 CA-C-N 116.144 -0.48 . . . . 1.53 110.825 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.13 123.94 15.06 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.521 2.147 . . . . 0.53000000000000003 112.454 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.437 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -59.31 -47.04 98.97 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.054 -0.521 . . . . 2.23 111.537 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 77.2 Cg_exo -48.37 -32.1 19.24 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.255 1.97 . . . . 0.93000000000000005 112.478 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.9 t -84.92 -33.08 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 1.26 110.624 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.539 HH11 ' HG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -58.12 -36.93 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.984 -0.553 . . . . 4.3099999999999996 110.793 179.454 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.04 46.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 1.22 111.598 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.78 -44.97 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.431 -0.35 . . . . 2.6499999999999999 110.943 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 HD12 HD22 ' A' ' 28' ' ' LEU . 2.6 tm? -80.63 -33.36 35.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 2.1299999999999999 110.781 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.1 m -59.27 -43.0 92.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.92000000000000004 110.332 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.99 97.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.883 -0.599 . . . . 1.21 110.733 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -60.44 -52.75 63.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 0.92000000000000004 111.46 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.483 HD22 HD12 ' A' ' 24' ' ' LEU . 4.1 mm? -59.04 -52.65 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 1.6599999999999999 111.391 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.53 ' HB2' ' HG ' ' A' ' 62' ' ' SER . 29.5 t70 -64.75 -20.67 66.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 1.21 111.28 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.44 -35.75 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 1.3100000000000001 110.782 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -0.64 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 1.6899999999999999 110.854 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.12 49.64 11.16 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.055 -0.52 . . . . 2.0299999999999998 110.695 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.96 26.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 1.3100000000000001 111.329 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -58.34 -29.04 65.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.921 0.391 . . . . 0.57999999999999996 110.598 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -62.8 -30.5 71.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.57 . . . . 2.8199999999999998 110.75 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -40.39 71.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.905 -0.589 . . . . 3.29 110.952 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 11.0 mt -56.91 -54.79 42.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 1.27 110.792 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.23 -64.81 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 1.0700000000000001 111.575 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -60.07 -25.54 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.22 112.094 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 37' ' ' LEU . . . -54.0 -36.26 62.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.916 0.388 . . . . 1.1499999999999999 110.719 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -4.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.988 -0.551 . . . . 1.1699999999999999 110.033 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.46 97.68 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.345 -0.843 . . . . 2.6099999999999999 111.546 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.75 163.1 25.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 1.5800000000000001 110.656 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -69.26 137.63 89.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 1.6799999999999999 110.277 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.42 ' HA ' HG22 ' A' ' 48' ' ' VAL . 50.2 Cg_exo -55.79 -13.72 9.17 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.554 2.169 . . . . 1.78 112.509 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.5 -36.81 83.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 2.0099999999999998 110.568 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -78.21 -37.65 44.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 1.96 110.487 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 45' ' ' PRO . 5.2 t -64.12 -33.08 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 1.5 111.028 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.8 -44.92 96.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 2.4399999999999999 110.952 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.95 -31.14 69.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 2.1200000000000001 110.809 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 mt -76.22 -55.17 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 1.1200000000000001 111.284 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.7 p -53.77 -40.25 66.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 1.8100000000000001 111.395 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -64.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 1.47 111.308 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -60.78 -26.86 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 2.5 111.197 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -60.5 -35.54 76.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 2.2999999999999998 110.947 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 3.7000000000000002 111.254 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 63' ' ' ASN . 70.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.761 0.315 . . . . 1.99 110.824 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.69 80.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 1.1200000000000001 111.204 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.53 ' HG ' ' HB2' ' A' ' 29' ' ' ASP . 3.1 m -65.3 -36.88 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.97999999999999998 110.898 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.46 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 0.9 OUTLIER -60.6 -52.57 64.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 2.3199999999999998 110.839 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -64.65 -38.38 90.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 1.72 110.523 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -57.6 -46.52 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.60999999999999999 110.738 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.91 -33.94 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 1.3100000000000001 111.325 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -63.44 -32.59 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 1.8899999999999999 111.734 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.0 mt -91.52 -40.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.495 -0.32 . . . . 1.2 111.753 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.7 t90 -71.5 -21.58 61.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.69999999999999996 111.105 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -111.09 72.57 0.21 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.708 -0.758 . . . . 1.0800000000000001 112.469 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.57 -67.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.55 -0.833 . . . . 1.54 112.595 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -71.17 -13.12 61.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.672 0.272 . . . . 2.5099999999999998 111.159 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -111.28 -25.6 9.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 1.8400000000000001 110.91 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 t30 55.6 53.05 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 3.6400000000000001 111.061 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -162.57 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 3.3500000000000001 110.713 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.9 p -142.88 166.76 23.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.824 0.345 . . . . 1.5600000000000001 111.014 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -63.87 -13.7 13.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 1.8300000000000001 111.474 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -60.25 -67.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 2.27 110.821 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 m -55.14 -33.89 63.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 1.28 110.993 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 50.4 tp -60.94 -40.08 91.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 1.22 110.763 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.02 -52.27 63.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.027 -0.533 . . . . 0.84999999999999998 111.106 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -17.29 57.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 1.24 111.903 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 24.9 tp -65.4 -57.13 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.618 -0.265 . . . . 1.8600000000000001 111.012 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -58.39 -28.2 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.55000000000000004 111.066 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.99 -33.33 56.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 2.1200000000000001 111.255 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -58.23 -41.86 85.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 2.7799999999999998 111.148 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.406 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -92.2 -0.26 57.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 2.1800000000000002 111.038 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mttt 55.86 46.19 22.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 3.4199999999999999 110.824 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.406 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 18.0 mt -89.13 83.04 6.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 1.9399999999999999 110.85 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -15.01 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 2.4100000000000001 111.477 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.03 -48.68 8.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 2.0499999999999998 111.05 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.46 71.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 1.1799999999999999 111.638 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.54 ' HG3' ' H ' ' A' ' 94' ' ' ARG . 10.7 ptp -59.83 -58.81 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.511 -0.313 . . . . 1.9199999999999999 111.303 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.54 ' H ' ' HG3' ' A' ' 93' ' ' MET . 5.5 ptp180 -59.16 -15.77 16.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.394 -0.366 . . . . 3.8900000000000001 111.25 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -72.75 -40.9 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 1.46 111.07 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.15 43.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.359 -0.382 . . . . 1.47 111.321 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 94' ' ' ARG . 1.4 ptpt -88.49 -33.0 17.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 3.27 110.829 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.08 2.16 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 1.6399999999999999 111.51 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.29 -8.32 14.36 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.935 0.346 . . . . 1.46 111.935 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.672 0.272 . . . . 1.6200000000000001 111.054 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.0 ptm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.715 0.293 . . . . 1.3600000000000001 110.839 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.55 153.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.29 110.754 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.574 ' H ' ' HB2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -51.88 -26.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 1.26 110.903 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -54.16 -39.03 66.17 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.315 -0.402 . . . . 3.2200000000000002 110.477 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -47.24 67.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.522 . . . . 2.1699999999999999 110.033 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HG ' ' NE ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -53.3 112.47 3.66 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.86 -0.609 . . . . 1.53 110.76 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' HD13 ' A' ' 16' ' ' LEU . 75.5 Cg_exo -50.27 111.24 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.31 2.007 . . . . 0.53000000000000003 112.305 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.601 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -53.95 -48.85 92.53 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.039 -0.528 . . . . 2.23 111.734 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.2 Cg_endo -51.96 -26.03 23.76 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.199 1.933 . . . . 0.93000000000000005 112.22 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.57 -41.62 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 1.26 110.477 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.425 ' NE ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -58.41 -33.88 70.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 4.3099999999999996 110.69 179.342 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.85 -28.28 63.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 1.22 111.329 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.95 -47.98 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 2.6499999999999999 110.805 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.82 -41.17 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 2.1299999999999999 110.754 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.7 m -57.86 -40.78 80.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.92000000000000004 110.297 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.17 98.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.851 -0.613 . . . . 1.21 110.779 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -62.44 -60.34 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.663 -0.699 . . . . 0.92000000000000004 111.396 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD21 ' N ' ' A' ' 28' ' ' LEU . 4.0 mm? -58.45 -43.52 88.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.902 -0.59 . . . . 1.6599999999999999 111.606 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.12 -29.72 70.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 1.21 111.199 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.11 -27.8 67.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.38 . . . . 1.3100000000000001 110.876 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.94 0.85 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.525 . . . . 1.6899999999999999 110.935 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.79 48.05 11.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.126 -0.488 . . . . 2.0299999999999998 110.788 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.6 22.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 1.3100000000000001 111.297 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -60.72 -29.21 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.57999999999999996 110.815 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -26.11 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 2.8199999999999998 110.986 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -71.91 -41.4 67.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 3.29 110.935 -179.794 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.63 -55.47 33.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.897 0.38 . . . . 1.27 110.566 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.96 -59.47 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 1.0700000000000001 111.588 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -60.01 -32.33 70.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.13 -0.486 . . . . 1.22 111.717 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.76 -36.27 64.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.514 -0.312 . . . . 1.1499999999999999 111.324 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 m -107.38 8.53 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 1.1699999999999999 111.12 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.87 102.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.085 -0.507 . . . . 2.6099999999999999 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mt -127.19 152.43 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.5800000000000001 111.091 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -69.96 133.05 88.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 1.6799999999999999 110.726 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.64 -29.18 78.5 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.415 2.077 . . . . 1.78 112.227 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -31.27 72.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 2.0099999999999998 110.372 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -77.86 -29.73 50.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 1.96 110.176 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -63.74 -33.33 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 1.5 110.572 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -43.24 99.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.952 -0.567 . . . . 2.4399999999999999 110.786 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.49 -42.88 93.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 2.1200000000000001 110.88 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.57 -51.25 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.021 -0.536 . . . . 1.1200000000000001 111.167 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -54.68 -37.39 65.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 1.8100000000000001 111.401 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -57.61 -56.7 18.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 1.47 111.268 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -61.43 -34.58 75.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 2.5 111.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -26.99 67.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 2.2999999999999998 111.272 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 3.7000000000000002 111.348 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.798 0.332 . . . . 1.99 110.773 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.98 76.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 1.1200000000000001 111.493 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.4 m -64.58 -29.64 70.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.97999999999999998 111.139 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.88 -59.42 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 2.3199999999999998 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -36.15 83.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 1.72 110.552 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -57.47 -41.96 81.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.60999999999999999 110.493 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -38.44 91.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 1.3100000000000001 110.911 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.472 HD22 HD21 ' A' ' 18' ' ' LEU . 17.6 m-80 -62.98 -58.35 7.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 1.8899999999999999 111.332 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.8 -34.12 61.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 1.2 111.673 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.2 t90 -71.44 -25.77 62.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.771 0.32 . . . . 0.69999999999999996 111.039 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -108.27 88.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 1.0800000000000001 112.432 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 162.94 -22.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.002 -0.618 . . . . 1.54 112.259 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -154.19 16.59 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.856 0.36 . . . . 2.5099999999999998 110.779 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -139.56 31.35 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.8400000000000001 110.905 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.77 88.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.87 -0.605 . . . . 3.6400000000000001 111.433 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.574 ' HB2' ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -76.72 116.83 17.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.589 . . . . 3.3500000000000001 111.144 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.56 122.75 7.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.261 -0.427 . . . . 1.5600000000000001 111.035 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 13.8 t -63.2 -24.16 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 1.8300000000000001 111.154 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -51.45 69.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 2.27 110.645 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.2 m -55.45 -32.95 63.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 1.28 111.228 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 tp -61.74 -48.13 82.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.22 111.198 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.43 -52.66 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.84999999999999998 110.949 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.38 -18.1 57.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 1.24 111.343 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -59.88 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 1.8600000000000001 110.983 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -58.26 -26.43 62.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.463 . . . . 0.55000000000000004 111.143 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -36.69 61.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 2.1200000000000001 111.024 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -58.9 -42.69 90.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 2.7799999999999998 110.993 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.461 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 1.5 mt -92.43 -0.87 57.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 2.1800000000000002 110.849 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mttm 54.52 45.27 27.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 3.4199999999999999 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.461 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 19.6 mt -88.82 80.33 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.9399999999999999 110.96 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -55.01 -24.2 23.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 2.4100000000000001 110.955 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -67.21 -61.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 2.0499999999999998 111.109 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.99 69.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.221 -0.445 . . . . 1.1799999999999999 111.359 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.9 mtp -58.91 -51.14 71.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 1.9199999999999999 110.88 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -59.78 -14.61 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 3.8900000000000001 111.325 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.63 -24.92 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.516 -0.311 . . . . 1.46 111.243 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.3 68.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.991 0.425 . . . . 1.47 111.711 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -105.6 -46.68 4.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 3.27 110.746 179.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.48 3.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 1.6399999999999999 111.522 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 97' ' ' LYS . 97.7 m-85 -105.48 -20.72 13.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.569 -0.287 . . . . 1.46 111.257 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.433 -0.349 . . . . 1.6200000000000001 110.93 179.618 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.705 0.288 . . . . 1.3600000000000001 110.901 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.96 150.52 5.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 1.29 111.1 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -28.01 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 1.26 110.809 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -55.84 -29.45 59.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.237 -0.438 . . . . 3.2200000000000002 110.737 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -34.68 67.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 2.1699999999999999 110.765 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.545 ' HB3' HH11 ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.01 109.34 1.32 Allowed Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.057 -0.52 . . . . 1.53 110.724 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -51.2 122.9 10.86 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.53 2.153 . . . . 0.53000000000000003 112.486 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.588 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -59.09 -50.86 85.61 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.161 -0.472 . . . . 2.23 111.645 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.7 Cg_endo -52.01 -26.81 26.49 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.215 1.943 . . . . 0.93000000000000005 112.102 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.49 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 80.8 t -85.9 -40.23 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.032 -0.531 . . . . 1.26 110.528 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.545 HH11 ' HB3' ' A' ' 16' ' ' LEU . 3.4 ttp180 -61.51 -28.92 69.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.103 -0.499 . . . . 4.3099999999999996 110.971 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.41 -37.84 73.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.75 -0.659 . . . . 1.22 112.691 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 6.0 pt20 -66.84 -34.47 77.87 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.959 -0.296 . . . . 2.6499999999999999 111.265 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' N ' ' HG3' ' A' ' 23' ' ' GLN . 39.1 tp -78.06 -38.27 44.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 2.1299999999999999 110.784 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 80.2 m -59.51 -52.28 66.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.334 -0.394 . . . . 0.92000000000000004 110.255 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -30.21 70.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.21 110.491 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -61.27 -64.63 0.89 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.993 -0.548 . . . . 0.92000000000000004 110.817 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.62 -39.62 81.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 1.6599999999999999 110.793 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.0 -24.35 67.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 1.21 110.971 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.45 -31.91 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.984 0.421 . . . . 1.3100000000000001 110.479 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.58 1.91 7.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 1.6899999999999999 110.674 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t0 58.53 45.57 16.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.053 -0.521 . . . . 2.0299999999999998 110.569 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' A' ' 36' ' ' GLN . 28.2 m -134.14 32.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 1.3100000000000001 111.32 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -63.1 -37.86 88.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.57999999999999996 110.517 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -23.78 67.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.961 -0.563 . . . . 2.8199999999999998 110.822 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -71.41 -40.82 70.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 3.29 111.031 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.18 -54.88 40.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 1.27 110.672 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.92 -59.8 3.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.51 . . . . 1.0700000000000001 111.374 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 m -60.32 -33.18 72.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 1.22 111.615 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.16 65.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 1.1499999999999999 111.151 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 m -104.73 3.64 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 1.1699999999999999 110.828 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.42 101.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.909 -0.587 . . . . 2.6099999999999999 111.043 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mt -128.3 154.51 45.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 1.5800000000000001 110.917 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -69.38 134.35 88.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.6799999999999999 110.399 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.34 -18.75 25.68 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.418 2.079 . . . . 1.78 112.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -71.88 -31.79 66.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.421 . . . . 2.0099999999999998 110.714 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -78.41 -33.11 48.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 1.96 110.747 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.36 -31.81 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 1.5 111.065 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.94 -46.19 90.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 2.4399999999999999 110.883 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -59.27 -26.82 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 2.1200000000000001 111.204 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.2 mt -79.0 -62.44 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.407 . . . . 1.1200000000000001 111.303 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.3 p -55.17 -12.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 1.8100000000000001 111.747 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -56.85 -69.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.669 0.271 . . . . 1.47 111.147 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -62.85 -26.02 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 2.5 111.161 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -60.16 -12.41 8.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 2.2999999999999998 111.388 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.185 0 CA-C-N 116.404 -0.362 . . . . 3.7000000000000002 111.555 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.805 0.336 . . . . 1.99 111.051 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.12 92.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.01 -0.541 . . . . 1.1200000000000001 111.308 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.8 m -64.01 -26.05 68.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.97999999999999998 111.01 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -61.09 -52.49 64.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 2.3199999999999998 110.546 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -40.72 92.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 1.72 110.591 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.95 -43.21 81.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 0.60999999999999999 110.68 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -34.7 78.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 1.3100000000000001 110.824 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -63.42 -55.25 25.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 1.8899999999999999 111.48 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.88 -45.43 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 1.2 111.628 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -71.6 -14.8 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.69999999999999996 111.013 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.71 96.58 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.685 -0.769 . . . . 1.0800000000000001 112.641 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.41 -44.16 1.25 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.779 -0.724 . . . . 1.54 112.281 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -73.34 -27.18 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 2.5099999999999998 110.742 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -113.06 -11.74 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 1.8400000000000001 110.944 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 57.84 55.13 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 3.6400000000000001 110.955 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -162.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 3.3500000000000001 110.806 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.93 163.98 34.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 1.5600000000000001 111.187 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.69 -19.18 22.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 1.8300000000000001 111.402 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -58.55 -63.08 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 2.27 110.777 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -55.36 -34.54 64.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 1.28 111.245 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 48.4 tp -61.05 -44.16 97.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.435 . . . . 1.22 110.776 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -62.11 -57.34 11.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.84999999999999998 110.82 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.94 -17.26 61.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.989 -0.551 . . . . 1.24 111.755 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 16.5 tp -65.49 -52.53 52.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 1.8600000000000001 110.966 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -58.6 -32.35 68.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.55000000000000004 111.167 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -53.62 -27.32 26.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 2.1200000000000001 111.18 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -57.57 -52.73 64.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 2.7799999999999998 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.34 3.07 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 2.1800000000000002 110.836 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt 58.55 52.73 6.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.997 -0.547 . . . . 3.4199999999999999 111.036 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.8 mt -90.64 73.6 6.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 1.9399999999999999 111.024 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -54.4 -27.87 39.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 2.4100000000000001 111.148 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -66.21 -60.13 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 2.0499999999999998 111.08 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.48 -34.76 59.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.074 -0.512 . . . . 1.1799999999999999 111.459 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.9 mtp -59.01 -53.09 62.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 1.9199999999999999 111.172 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -56.95 -28.37 62.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 3.8900000000000001 111.465 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -35.73 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 1.46 111.194 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.436 HG23 HD22 ' A' ' 24' ' ' LEU . 4.7 pt -120.25 31.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 1.47 111.266 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 51.65 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.969 0.414 . . . . 3.27 110.86 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.1 11.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.947 -0.57 . . . . 1.6399999999999999 111.521 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -114.91 -5.98 12.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.046 0.451 . . . . 1.46 110.468 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.797 -0.638 . . . . 1.6200000000000001 111.061 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 ptm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.841 0.353 . . . . 1.3600000000000001 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HA ' HG23 ' A' ' 76' ' ' THR . . . -51.02 149.11 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 1.29 111.501 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -56.76 -22.04 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.588 -0.733 . . . . 1.26 110.938 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -56.72 -10.65 1.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.337 -0.392 . . . . 3.2200000000000002 111.395 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 tt -103.53 -30.97 10.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.782 -0.451 . . . . 2.1699999999999999 109.782 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.402 HD12 ' HD3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -51.14 104.82 0.45 Allowed Pre-proline 0 C--O 1.231 0.121 0 CA-C-N 115.828 -0.624 . . . . 1.53 110.438 179.418 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -67.09 135.26 36.78 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.813 2.342 . . . . 0.53000000000000003 112.466 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.603 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.1 tp -59.22 -49.42 92.97 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.846 -0.616 . . . . 2.23 112.147 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.4 Cg_endo -52.64 -29.78 42.81 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.106 1.871 . . . . 0.93000000000000005 112.698 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 t -87.18 -41.79 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 1.26 111.13 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' HD3' HD12 ' A' ' 16' ' ' LEU . 13.9 ttp180 -60.08 -35.92 76.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 4.3099999999999996 111.163 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.31 -22.99 45.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 1.22 111.425 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.77 -33.43 74.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 2.6499999999999999 110.742 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.504 ' HG ' HD21 ' A' ' 28' ' ' LEU . 58.6 tp -91.21 -28.76 17.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 2.1299999999999999 110.832 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m -61.48 -39.19 90.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.978 0.418 . . . . 0.92000000000000004 110.306 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -46.28 91.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 1.21 110.662 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.55 -49.0 79.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.65 -0.704 . . . . 0.92000000000000004 110.887 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.504 HD21 ' HG ' ' A' ' 24' ' ' LEU . 4.1 mm? -58.61 -46.05 87.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 1.6599999999999999 111.411 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.408 ' HB2' ' OG ' ' A' ' 62' ' ' SER . 14.3 t70 -73.21 -19.43 61.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 1.21 111.167 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.54 78.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 1.3100000000000001 110.773 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.98 -3.52 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 1.6899999999999999 110.897 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 56.33 51.09 12.05 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.495 . . . . 2.0299999999999998 110.685 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.56 31.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.938 -0.574 . . . . 1.3100000000000001 111.375 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -57.83 -31.21 66.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.57999999999999996 110.76 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -28.86 70.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 2.8199999999999998 110.897 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.408 HE21 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.94 -42.53 66.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 3.29 110.934 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' N ' HE21 ' A' ' 36' ' ' GLN . 1.7 mt -58.03 -56.97 15.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.913 0.387 . . . . 1.27 110.599 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.76 -58.28 6.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.926 -0.579 . . . . 1.0700000000000001 111.597 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 m -59.65 -31.7 69.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.092 -0.504 . . . . 1.22 111.724 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.51 -36.89 67.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 1.1499999999999999 111.447 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.6 m -105.52 9.66 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.533 -0.303 . . . . 1.1699999999999999 111.226 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.99 96.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 2.6099999999999999 111.104 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mt -115.6 147.33 40.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 1.5800000000000001 111.084 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.473 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 92.3 m-85 -69.75 160.35 80.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 1.6799999999999999 110.634 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 44' ' ' TYR . 32.3 Cg_endo -61.13 -37.85 71.78 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.55 2.167 . . . . 1.78 111.925 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -27.84 69.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 2.0099999999999998 110.189 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -78.78 -42.29 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.882 -0.599 . . . . 1.96 110.581 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.0 t -63.47 -49.19 83.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.5 110.814 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.94 -37.95 84.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 2.4399999999999999 110.464 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -59.5 -43.25 93.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.9 -0.591 . . . . 2.1200000000000001 110.942 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.88 -47.3 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 1.1200000000000001 111.236 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -53.65 -38.19 63.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 1.8100000000000001 111.292 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.18 -60.1 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 1.47 111.138 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -33.68 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 2.5 111.228 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.43 -40.16 85.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.353 -0.385 . . . . 2.2999999999999998 111.123 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 3.7000000000000002 111.238 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.753 0.311 . . . . 1.99 110.864 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.12 -36.04 78.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 1.1200000000000001 111.163 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.408 ' OG ' ' HB2' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -64.56 -34.24 77.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.97999999999999998 110.824 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -51.01 71.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 2.3199999999999998 110.641 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -39.33 91.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 1.72 110.445 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.45 -48.69 78.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.953 -0.567 . . . . 0.60999999999999999 110.894 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.66 -29.94 71.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 1.3100000000000001 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -63.9 -62.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 1.8899999999999999 111.51 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.69 -46.57 94.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 1.2 111.774 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -70.87 -18.4 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.69999999999999996 111.094 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.11 88.15 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.569 -0.824 . . . . 1.0800000000000001 112.597 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.8 -41.17 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 1.54 112.612 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -111.75 -29.09 7.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 2.5099999999999998 110.958 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.62 -14.89 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 1.8400000000000001 110.845 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 54.53 44.21 29.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 3.6400000000000001 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.82 -168.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 3.3500000000000001 111.023 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.411 HG23 ' HA ' ' A' ' 12' ' ' ALA . 53.7 p -142.82 165.62 26.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.407 -0.36 . . . . 1.5600000000000001 110.786 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 m -62.56 -19.73 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 1.8300000000000001 111.409 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.55 -54.06 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 2.27 110.795 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.47 -37.6 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 1.28 111.246 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.95 -45.06 96.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 1.22 110.808 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -61.0 -46.54 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.84999999999999998 110.792 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.31 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 1.24 111.113 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.7 -52.91 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 1.8600000000000001 110.895 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -58.22 -28.51 64.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.55000000000000004 111.424 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -53.97 -29.57 43.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.721 0.296 . . . . 2.1200000000000001 111.006 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -59.31 -54.59 45.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 2.7799999999999998 111.169 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.58 -3.5 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 2.1800000000000002 111.16 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 51.89 67.93 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 3.4199999999999999 110.456 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 89' ' ' LEU . 4.3 mp -90.28 85.26 6.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 1.9399999999999999 111.231 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -37.42 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 2.4100000000000001 111.488 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -71.21 -59.46 2.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.425 . . . . 2.0499999999999998 111.783 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.35 -32.98 40.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.4 . . . . 1.1799999999999999 111.731 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 29.2 mtt -59.63 -47.33 86.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.391 -0.368 . . . . 1.9199999999999999 111.383 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.538 ' HA ' ' HG3' ' A' ' 97' ' ' LYS . 34.3 mtp180 -57.85 -27.95 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 3.8900000000000001 111.649 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -31.65 71.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.478 -0.328 . . . . 1.46 111.463 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.02 56.68 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 1.47 111.352 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.538 ' HG3' ' HA ' ' A' ' 94' ' ' ARG . 6.3 mmtp -96.73 -44.88 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 3.27 110.737 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.5 1.2 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.6399999999999999 111.362 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -106.53 -20.15 13.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.547 -0.297 . . . . 1.46 111.42 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.774 0.321 . . . . 1.6200000000000001 110.923 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.6 ptm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.874 0.369 . . . . 1.3600000000000001 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.9 146.47 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 1.29 111.271 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.65 -23.57 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 1.26 110.523 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -27.19 39.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.957 -0.565 . . . . 3.2200000000000002 110.681 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.51 -33.14 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 2.1699999999999999 110.32 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.46 105.13 0.48 Allowed Pre-proline 0 C--N 1.333 -0.119 0 CA-C-N 116.021 -0.536 . . . . 1.53 110.596 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HB2' HG22 ' A' ' 20' ' ' VAL . 36.3 Cg_exo -61.61 126.8 19.94 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.436 2.091 . . . . 0.53000000000000003 112.421 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.638 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -57.13 -48.07 98.02 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.825 -0.625 . . . . 2.23 112.058 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 2.8 Cg_endo -45.61 -27.85 3.92 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.5 2.133 . . . . 0.93000000000000005 112.543 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 17' ' ' PRO . 3.1 t -85.73 -43.68 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 1.26 110.766 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -59.65 -29.44 68.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 4.3099999999999996 110.633 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.3 -33.47 69.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 1.22 111.665 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -67.22 -42.12 84.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.392 -0.367 . . . . 2.6499999999999999 111.175 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' HG ' HD23 ' A' ' 28' ' ' LEU . 31.1 tp -77.24 -33.87 55.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.297 -0.41 . . . . 2.1299999999999999 111.206 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.4 m -61.3 -44.9 96.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.423 . . . . 0.92000000000000004 110.207 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.84 97.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.672 -0.695 . . . . 1.21 110.582 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -59.58 -49.51 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.559 -0.746 . . . . 0.92000000000000004 110.998 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD21 ' N ' ' A' ' 28' ' ' LEU . 4.5 mm? -59.27 -32.22 69.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 1.6599999999999999 111.106 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.48 -33.14 73.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 1.21 110.907 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.61 -37.33 79.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 1.3100000000000001 110.97 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' HG23 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -71.8 -14.94 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 1.6899999999999999 110.998 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.63 58.71 4.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 2.0299999999999998 111.139 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 31' ' ' LEU . 12.9 m -138.08 32.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 1.3100000000000001 111.267 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -67.64 -35.05 78.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.371 -0.377 . . . . 0.57999999999999996 110.896 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -39.08 93.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 2.8199999999999998 110.914 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -72.28 -35.45 68.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 3.29 110.938 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 16.5 mt -59.58 -54.52 45.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.999 0.428 . . . . 1.27 110.13 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.46 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.846 -0.615 . . . . 1.0700000000000001 111.456 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -59.27 -23.66 62.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.03 -0.532 . . . . 1.22 112.118 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 37' ' ' LEU . . . -52.72 -32.91 45.43 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.832 0.349 . . . . 1.1499999999999999 110.731 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 m -106.12 -5.94 10.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 1.1699999999999999 110.268 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.48 100.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.581 -0.736 . . . . 2.6099999999999999 111.597 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.4 178.32 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 1.5800000000000001 110.919 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -69.41 161.81 71.02 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 1.6799999999999999 110.591 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.35 -29.73 13.55 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.415 2.076 . . . . 1.78 111.84 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -64.08 -23.51 67.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 2.0099999999999998 110.617 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.92 -51.23 10.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.527 . . . . 1.96 110.512 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.2 t -63.48 -44.79 98.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 1.5 110.737 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -45.41 94.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 2.4399999999999999 110.707 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -58.83 -37.94 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 2.1200000000000001 111.088 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.5 mt -68.96 -57.31 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 1.1200000000000001 111.203 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -53.39 -35.61 60.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.417 . . . . 1.8100000000000001 111.057 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.6 t -58.37 -59.13 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 1.47 111.095 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -33.56 73.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 2.5 111.232 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -60.58 -26.34 66.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 2.2999999999999998 111.429 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 116.503 -0.317 . . . . 3.7000000000000002 111.744 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.707 0.289 . . . . 1.99 110.787 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.66 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 1.1200000000000001 111.124 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -35.99 82.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.97999999999999998 110.796 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -52.86 63.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.464 . . . . 2.3199999999999998 110.696 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.57 -38.93 92.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.72 110.639 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -57.81 -45.56 85.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.942 -0.572 . . . . 0.60999999999999999 111.041 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.16 -33.19 75.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 1.3100000000000001 111.111 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.24 -38.34 90.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 1.8899999999999999 111.644 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.8 mt -87.0 -50.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.321 . . . . 1.2 111.774 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -70.19 -53.29 17.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.394 -0.366 . . . . 0.69999999999999996 111.026 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.76 72.79 1.42 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.705 -0.759 . . . . 1.0800000000000001 112.477 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.52 -76.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 1.54 112.563 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.07 -27.98 66.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.789 0.328 . . . . 2.5099999999999998 110.97 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -81.52 -28.75 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 1.8400000000000001 110.914 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 t30 54.53 54.78 8.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.128 -0.487 . . . . 3.6400000000000001 110.839 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -178.73 5.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 3.3500000000000001 111.205 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.44 148.53 21.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.548 . . . . 1.5600000000000001 111.375 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.6 m -64.75 -27.15 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 1.8300000000000001 110.997 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -59.4 -42.71 92.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 2.27 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -54.87 -34.76 63.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 1.28 111.056 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.95 -45.65 93.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.538 . . . . 1.22 110.966 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.402 ' HB2' HG11 ' A' ' 100' ' ' VAL . 8.9 t80 -62.22 -57.55 11.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.84999999999999998 111.133 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.22 -16.93 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 1.24 111.653 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.402 HD23 HD21 ' A' ' 37' ' ' LEU . 13.8 tp -66.48 -59.46 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.518 -0.31 . . . . 1.8600000000000001 110.978 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -58.28 -22.15 51.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.55000000000000004 111.455 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -37.89 62.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.342 -0.39 . . . . 2.1200000000000001 110.896 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -59.02 -39.18 81.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 2.7799999999999998 110.974 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.461 HD13 HD13 ' A' ' 89' ' ' LEU . 9.1 mt -93.17 -1.87 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 2.1800000000000002 111.037 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt 57.12 40.09 28.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 3.4199999999999999 111.069 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.461 HD13 HD13 ' A' ' 87' ' ' LEU . 83.4 mt -89.26 72.72 8.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 1.9399999999999999 110.891 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -53.26 -33.97 55.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 2.4100000000000001 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -60.45 -56.53 20.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 2.0499999999999998 110.885 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.12 -40.58 64.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.081 -0.509 . . . . 1.1799999999999999 111.268 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -48.22 82.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 1.9199999999999999 110.99 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -21.31 59.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 3.8900000000000001 111.533 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -65.29 -26.91 68.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.512 -0.313 . . . . 1.46 111.508 -179.417 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 1.5 pt -108.95 -103.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.769 -0.196 . . . . 1.47 110.581 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 96' ' ' ILE . 4.5 mtpt 72.8 -51.77 0.71 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.168 0.432 . . . . 3.27 112.168 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -0.44 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.713 0.264 . . . . 1.6399999999999999 111.713 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -111.37 -15.38 13.59 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.68 0.252 . . . . 1.46 111.68 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.402 HG11 ' HB2' ' A' ' 81' ' ' PHE . 1.4 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 1.6200000000000001 111.092 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 1.3600000000000001 110.916 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 151.66 3.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 1.29 111.166 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.418 HD11 ' HB3' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -57.28 -26.7 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.786 -0.643 . . . . 1.26 110.877 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -55.02 -34.34 63.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 3.2200000000000002 111.051 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -73.61 -36.51 65.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 2.1699999999999999 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.485 HD23 HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -52.43 112.13 3.13 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 1.53 110.957 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.24 122.1 8.76 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.435 2.09 . . . . 0.53000000000000003 112.434 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.608 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -56.69 -49.08 95.77 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.122 -0.49 . . . . 2.23 111.724 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.0 Cg_endo -52.23 -26.01 25.44 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.169 1.912 . . . . 0.93000000000000005 112.389 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.1 t -86.09 -41.42 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 1.26 110.679 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.47 HH11 HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.56 -35.98 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 4.3099999999999996 110.952 179.652 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -21.48 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.891 -0.595 . . . . 1.22 111.514 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -59.8 3.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 2.6499999999999999 110.688 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.566 ' HG ' HD21 ' A' ' 28' ' ' LEU . 50.7 tp -66.89 -30.76 71.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.518 . . . . 2.1299999999999999 110.735 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.7 m -61.71 -40.59 95.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.92000000000000004 110.31 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.32 90.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.813 -0.63 . . . . 1.21 110.759 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -59.97 -48.98 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.796 -0.638 . . . . 0.92000000000000004 111.067 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD21 ' HG ' ' A' ' 24' ' ' LEU . 4.4 mm? -60.09 -51.48 69.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 1.6599999999999999 111.621 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -62.14 -23.28 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 1.21 111.084 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.94 -32.79 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 1.3100000000000001 110.698 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.51 1.49 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.894 -0.594 . . . . 1.6899999999999999 110.933 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t0 58.45 46.56 14.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.072 -0.513 . . . . 2.0299999999999998 110.803 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.76 64.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 1.3100000000000001 111.178 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -86.73 -37.86 17.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.57999999999999996 110.782 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.08 -27.52 69.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 2.8199999999999998 110.923 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -37.83 71.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 3.29 110.939 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.78 -61.39 2.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.807 0.336 . . . . 1.27 110.64 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.97 -55.15 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 1.0700000000000001 111.631 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.7 m -60.47 -31.29 70.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.176 -0.465 . . . . 1.22 111.748 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.28 -33.72 63.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.666 0.269 . . . . 1.1499999999999999 111.311 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.64 6.32 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.792 0.33 . . . . 1.1699999999999999 111.191 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.55 102.67 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.039 -0.528 . . . . 2.6099999999999999 111.082 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mt -123.39 164.6 18.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 1.5800000000000001 111.109 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.475 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 21.7 m-85 -69.36 136.16 88.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 1.6799999999999999 110.544 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.46 -10.15 12.84 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.546 2.164 . . . . 1.78 112.414 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -86.49 -32.53 20.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.424 -0.353 . . . . 2.0099999999999998 110.724 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.475 ' HG3' ' HB2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -77.76 -39.47 44.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 1.96 110.5 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.8 t -63.76 -45.67 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 1.5 110.907 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.48 -38.73 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 2.4399999999999999 110.944 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -33.34 71.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 2.1200000000000001 111.135 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.9 mt -74.23 -48.9 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 1.1200000000000001 111.293 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 p -53.33 -30.89 41.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 1.8100000000000001 111.263 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -68.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 1.47 111.108 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -61.41 -32.76 72.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 2.5 111.265 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HG3' ' HB3' ' A' ' 61' ' ' ALA . 8.7 ttpt -59.12 -35.32 73.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 2.2999999999999998 111.191 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 3.7000000000000002 110.981 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.426 ' HB2' ' HB2' ' A' ' 63' ' ' ASN . 72.7 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.787 0.327 . . . . 1.99 110.774 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.456 ' HB3' ' HG3' ' A' ' 55' ' ' LYS . . . -61.11 -37.04 81.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 1.1200000000000001 111.336 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -64.87 -41.78 95.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.97999999999999998 111.03 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.426 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 2.3 m-20 -61.31 -48.92 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 2.3199999999999998 111.038 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.87 -45.9 84.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 1.72 110.871 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -57.28 -35.8 70.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.535 . . . . 0.60999999999999999 110.742 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -39.63 94.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 1.3100000000000001 111.155 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -62.74 -45.66 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 1.8899999999999999 111.476 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.2 mt -71.81 -49.96 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 1.2 111.812 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -70.66 -14.04 62.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.69999999999999996 110.96 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.89 83.14 0.35 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.664 -0.779 . . . . 1.0800000000000001 112.452 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.73 -40.34 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 1.54 112.623 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -116.53 10.51 14.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 2.5099999999999998 111.192 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -119.61 -14.58 9.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.8400000000000001 111.01 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 m120 51.63 47.15 25.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.188 -0.46 . . . . 3.6400000000000001 111.067 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.418 ' HB3' HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -77.25 -164.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 3.3500000000000001 110.832 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.38 157.43 43.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.902 0.382 . . . . 1.5600000000000001 111.351 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.485 HG13 HD23 ' A' ' 16' ' ' LEU . 4.6 m -63.26 -22.09 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 1.8300000000000001 111.625 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.08 -54.27 48.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 2.27 110.885 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 m -55.62 -32.43 63.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 1.28 111.457 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 47.6 tp -60.38 -43.97 96.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 1.22 110.917 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -61.56 -57.51 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.84999999999999998 110.939 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.85 -15.65 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 1.24 111.739 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.55 -59.83 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 1.8600000000000001 110.901 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.541 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 31.4 m-85 -58.48 -25.87 62.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.55000000000000004 111.336 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -33.77 53.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 2.1200000000000001 110.721 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -59.54 -43.16 93.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 2.7799999999999998 110.815 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.532 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -93.92 -0.61 55.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 2.1800000000000002 110.807 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.3 46.11 16.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.541 . . . . 3.4199999999999999 111.263 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 95.2 mt -89.88 77.08 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.338 -0.392 . . . . 1.9399999999999999 110.867 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -54.31 -32.24 56.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 2.4100000000000001 111.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -50.17 54.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.394 . . . . 2.0499999999999998 111.112 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.57 -45.97 70.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 1.1799999999999999 111.248 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.424 ' O ' HG13 ' A' ' 96' ' ' ILE . 31.2 mtm -60.48 -44.59 95.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 1.9199999999999999 110.973 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 94' ' ' ARG . 4.5 ttp-105 -59.78 -19.2 49.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 3.8900000000000001 111.747 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.488 HD21 HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -72.6 -23.66 60.97 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.758 0.281 . . . . 1.46 111.758 -179.376 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 93' ' ' MET . 1.3 pt -108.47 -97.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 121.198 -0.201 . . . . 1.47 110.776 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.418 ' C ' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER 67.88 -69.76 0.14 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.787 0.291 . . . . 3.27 111.787 179.545 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -0.94 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.58 -0.282 . . . . 1.6399999999999999 111.508 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' H ' ' C ' ' A' ' 97' ' ' LYS . 98.2 m-85 -108.98 -16.13 14.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.617 -0.265 . . . . 1.46 111.255 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 120.747 0.308 . . . . 1.6200000000000001 111.226 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.766 0.317 . . . . 1.3600000000000001 110.77 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.11 136.82 23.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 1.29 111.237 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.7 mt -56.2 -26.49 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.682 -0.69 . . . . 1.26 110.691 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -38.35 68.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 3.2200000000000002 110.598 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -33.64 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 2.1699999999999999 111.121 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.91 112.4 3.21 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.332 -0.394 . . . . 1.53 110.897 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HB2' HG21 ' A' ' 20' ' ' VAL . 52.4 Cg_exo -53.11 123.0 12.14 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.444 2.096 . . . . 0.53000000000000003 112.298 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.427 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -58.71 -47.69 98.24 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.183 -0.462 . . . . 2.23 111.529 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 84.4 Cg_exo -47.91 -29.44 11.72 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.341 2.027 . . . . 0.93000000000000005 112.658 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.462 HG12 ' HH ' ' A' ' 99' ' ' TYR . 64.8 t -84.95 -41.56 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.302 -0.408 . . . . 1.26 111.052 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.48 HH22 HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -59.54 -40.26 86.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 4.3099999999999996 110.871 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.26 52.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 1.22 111.718 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -47.22 73.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.454 -0.339 . . . . 2.6499999999999999 110.774 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.534 HD21 HD22 ' A' ' 95' ' ' LEU . 2.6 tm? -73.22 -29.03 62.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 2.1299999999999999 110.302 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.5 m -59.41 -44.49 92.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.92000000000000004 110.192 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 1.21 110.732 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -59.71 -56.8 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.412 -0.813 . . . . 0.92000000000000004 111.276 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD23 ' CD1' ' A' ' 24' ' ' LEU . 3.9 mm? -60.03 -34.45 73.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 1.6599999999999999 111.286 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.11 -34.13 71.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.332 -0.395 . . . . 1.21 111.104 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.68 -36.0 77.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 1.3100000000000001 111.12 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -72.07 -8.57 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 1.6899999999999999 111.167 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 53.54 62.27 2.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.443 . . . . 2.0299999999999998 111.07 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.86 26.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 1.3100000000000001 111.253 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -64.09 -39.47 94.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.57999999999999996 110.634 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.37 -41.62 96.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 2.8199999999999998 110.682 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.44 -29.06 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 3.29 110.533 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.56 -49.34 71.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.161 0.505 . . . . 1.27 109.767 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.12 -64.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.584 -0.734 . . . . 1.0700000000000001 111.078 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -25.13 66.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 1.22 111.7 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.45 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.827 0.346 . . . . 1.1499999999999999 110.732 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.13 -6.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 1.1699999999999999 110.247 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.36 98.02 0.03 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.562 -0.745 . . . . 2.6099999999999999 111.562 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.24 -171.19 2.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.094 -0.503 . . . . 1.5800000000000001 110.664 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.23 127.95 91.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 1.6799999999999999 110.936 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.45 -21.3 67.43 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.367 2.045 . . . . 1.78 112.131 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -82.58 -26.51 32.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 2.0099999999999998 111.03 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -77.21 -28.68 53.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.391 -0.368 . . . . 1.96 110.477 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.2 t -65.07 -32.81 59.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 1.5 110.748 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.54 -29.44 69.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 2.4399999999999999 111.099 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.23 -35.67 74.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 2.1200000000000001 110.993 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.3 mt -75.38 -36.91 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 1.1200000000000001 111.045 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.1 t -54.99 -54.26 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 1.8100000000000001 111.179 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.9 t -58.46 -47.75 83.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 1.47 111.277 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -60.86 -30.56 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 2.5 111.172 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -60.52 -35.43 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 2.2999999999999998 111.116 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 3.7000000000000002 111.12 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.89 0.376 . . . . 1.99 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.89 99.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 1.1200000000000001 111.461 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.9 m -64.44 -40.53 95.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.97999999999999998 110.921 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.65 -44.41 96.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 2.3199999999999998 110.809 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.6 -43.32 90.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 1.72 110.48 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -57.63 -47.46 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.60999999999999999 110.745 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -63.69 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 1.3100000000000001 110.956 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.35 -58.07 7.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 1.8899999999999999 111.454 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.45 -49.34 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.2 111.946 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 36.6 t90 -70.52 -23.97 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.504 -0.316 . . . . 0.69999999999999996 111.08 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -124.33 60.9 0.6 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 1.0800000000000001 112.477 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.03 -37.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 1.54 112.549 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -119.85 -19.55 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 2.5099999999999998 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -84.76 -28.76 26.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 1.8400000000000001 110.645 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 53.34 51.58 15.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 3.6400000000000001 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -77.62 179.71 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 3.3500000000000001 111.126 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.472 ' HG1' ' HG1' ' A' ' 79' ' ' THR . 69.4 p -95.44 146.91 24.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.726 -0.67 . . . . 1.5600000000000001 111.123 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.13 -25.06 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 1.8300000000000001 110.863 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -41.45 89.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 2.27 110.917 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.472 ' HG1' ' HG1' ' A' ' 76' ' ' THR . 5.5 m -55.24 -37.8 67.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 1.28 111.064 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.92 -39.72 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 1.22 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.43 -62.55 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.84999999999999998 111.203 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.2 -16.42 44.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 1.24 111.629 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.8 -54.65 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.8600000000000001 111.114 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -58.14 -35.4 71.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.55000000000000004 111.222 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -38.8 59.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 2.1200000000000001 110.875 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.77 -40.77 84.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 2.7799999999999998 110.96 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 3.02 56.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 2.1800000000000002 110.93 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm 59.84 34.97 21.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.515 . . . . 3.4199999999999999 111.332 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 mt -90.73 68.73 6.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.9399999999999999 110.775 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -54.59 -40.08 68.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 2.4100000000000001 111.347 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -57.78 -47.45 82.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 2.0499999999999998 111.315 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.497 ' HA ' HD13 ' A' ' 95' ' ' LEU . . . -53.55 -42.13 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 1.1799999999999999 111.481 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.437 ' O ' HG13 ' A' ' 96' ' ' ILE . 13.7 mtm -60.27 -42.16 94.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 1.9199999999999999 111.592 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -59.51 -17.03 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.052 0.39 . . . . 3.8900000000000001 112.052 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.534 HD22 HD21 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -73.81 -24.02 59.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.65 0.262 . . . . 1.46 111.423 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -109.94 -93.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.565 -0.289 . . . . 1.47 110.761 179.686 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.476 ' C ' ' H ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 65.72 -74.05 0.06 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.769 0.318 . . . . 3.27 111.665 179.583 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.94 8.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.13 0.418 . . . . 1.6399999999999999 112.13 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.476 ' H ' ' C ' ' A' ' 97' ' ' LYS . 83.8 m-85 -109.61 -16.54 13.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 1.46 110.891 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 1.6200000000000001 110.858 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 ptt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.9 0.381 . . . . 1.3600000000000001 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.53 148.17 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.015 -0.538 . . . . 1.29 111.323 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mt -58.47 -20.93 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.467 -0.788 . . . . 1.26 110.819 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -56.19 -18.31 9.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 3.2200000000000002 111.099 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -28.04 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 2.1699999999999999 110.411 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.18 104.5 0.43 Allowed Pre-proline 0 C--O 1.231 0.124 0 CA-C-N 116.006 -0.543 . . . . 1.53 110.363 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HB2' HG22 ' A' ' 20' ' ' VAL . 26.9 Cg_exo -64.26 125.29 14.85 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.622 2.215 . . . . 0.53000000000000003 112.653 -179.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 1.1 mt -64.0 -45.73 80.42 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.838 -0.619 . . . . 2.23 111.876 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 94.1 Cg_exo -44.22 -34.58 7.1 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.363 2.042 . . . . 0.93000000000000005 112.808 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 17' ' ' PRO . 2.3 t -86.38 -43.99 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 1.26 110.992 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.4 ' NH2' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.33 -26.12 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 4.3099999999999996 110.891 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.49 -30.9 65.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.784 -0.643 . . . . 1.22 111.513 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -27.1 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 2.6499999999999999 110.969 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.486 HD12 ' HB3' ' A' ' 92' ' ' ALA . 57.7 tp -88.15 -35.24 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 2.1299999999999999 110.976 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.5 m -60.12 -42.54 94.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.92000000000000004 110.339 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.33 96.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.851 -0.613 . . . . 1.21 111.086 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -60.45 -52.81 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.92000000000000004 111.168 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 28' ' ' LEU . 4.4 mm? -59.93 -24.62 64.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.065 -0.516 . . . . 1.6599999999999999 111.414 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -32.79 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 1.21 110.802 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.62 -44.66 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 1.3100000000000001 110.974 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -20.1 62.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 1.6899999999999999 110.809 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 52.23 73.76 0.31 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 2.0299999999999998 111.023 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.66 26.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 1.3100000000000001 111.195 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.454 ' HA ' HD13 ' A' ' 37' ' ' LEU . 59.9 p-90 -66.63 -36.88 83.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.57999999999999996 110.964 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -63.19 -35.95 82.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 2.8199999999999998 110.675 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.97 -29.18 63.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.534 . . . . 3.29 110.626 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 34' ' ' TRP . 18.8 mt -65.09 -58.69 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 1.27 110.463 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.18 -55.9 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 1.0700000000000001 111.235 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -61.14 -33.15 72.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 1.22 111.736 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.67 67.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.865 0.364 . . . . 1.1499999999999999 111.071 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.98 4.53 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 1.1699999999999999 110.57 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.481 ' HB3' ' HZ2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 61.67 110.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.674 -0.693 . . . . 2.6099999999999999 111.37 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.98 156.07 46.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 1.5800000000000001 110.797 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.39 157.52 89.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 1.6799999999999999 110.728 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.22 -27.88 28.51 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.497 2.132 . . . . 1.78 111.728 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -31.73 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 2.0099999999999998 110.326 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.514 ' NE2' ' HH ' ' A' ' 73' ' ' TYR . 6.9 mm100 -78.64 -43.54 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 1.96 110.346 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.46 ' HA ' HD11 ' A' ' 51' ' ' ILE . 53.0 t -63.02 -48.03 89.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 1.5 110.663 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.22 -40.48 90.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 2.4399999999999999 110.292 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -27.98 67.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 2.1200000000000001 111.009 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 48' ' ' VAL . 24.4 mt -82.62 -56.21 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 1.1200000000000001 111.198 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.4 p -52.84 -35.61 57.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 1.8100000000000001 111.152 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 t -59.17 -68.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 1.47 110.864 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -62.3 -15.23 46.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 2.5 111.375 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -58.32 -55.27 37.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.83 0.348 . . . . 2.2999999999999998 110.945 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 3.7000000000000002 111.201 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.818 0.342 . . . . 1.99 110.879 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.01 96.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 1.1200000000000001 111.295 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 m -65.71 -42.09 91.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.97999999999999998 110.767 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.36 -49.98 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 2.3199999999999998 110.824 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -64.71 -38.87 92.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 1.72 110.603 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -58.01 -46.3 85.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.969 -0.56 . . . . 0.60999999999999999 110.606 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.09 -29.67 70.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 1.3100000000000001 110.885 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.37 -20.3 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 1.8899999999999999 111.198 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.6 mt -105.06 -57.9 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.355 -0.384 . . . . 1.2 111.516 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -71.23 -4.54 26.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.438 . . . . 0.69999999999999996 111.036 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -131.02 44.03 1.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 1.0800000000000001 112.563 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.61 -39.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 1.54 112.581 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -76.33 -45.98 29.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 2.5099999999999998 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.514 ' HH ' ' NE2' ' A' ' 47' ' ' GLN . 15.6 m-85 -98.49 -21.02 16.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 1.8400000000000001 111.017 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 54.35 70.83 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 3.6400000000000001 110.8 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -178.52 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 3.3500000000000001 110.992 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.5 p -96.35 151.51 19.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 1.5600000000000001 111.231 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.3 m -63.62 -24.87 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 1.8300000000000001 110.688 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -63.62 -50.58 68.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 2.27 110.664 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -55.43 -33.31 63.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 1.28 111.064 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.4 HD12 ' NH2' ' A' ' 21' ' ' ARG . 50.0 tp -61.03 -45.89 92.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.076 -0.511 . . . . 1.22 110.815 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -61.0 -50.63 72.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.84999999999999998 110.8 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.53 -22.03 64.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 1.24 111.37 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.9 tp -66.92 -54.5 21.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 1.8600000000000001 111.086 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -58.07 -30.19 66.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.55000000000000004 111.318 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -53.39 -32.72 50.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 2.1200000000000001 111.029 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -43.46 91.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 2.7799999999999998 110.88 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.487 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -92.88 -1.23 56.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 2.1800000000000002 111.0 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm 56.66 46.99 19.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.111 -0.495 . . . . 3.4199999999999999 111.055 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.487 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 57.8 mt -90.65 71.97 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 1.9399999999999999 111.001 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -54.19 -28.43 40.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 2.4100000000000001 111.195 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.3 -53.43 19.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 2.0499999999999998 111.163 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.486 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -53.43 -32.62 50.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 1.1799999999999999 111.621 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.5 mtt -58.79 -52.24 66.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 1.9199999999999999 111.403 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -57.97 -17.79 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 3.8900000000000001 111.768 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -83.91 -28.18 28.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.639 0.256 . . . . 1.46 111.343 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.1 pt -113.24 7.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.91 0.386 . . . . 1.47 111.108 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -19.85 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 3.27 110.882 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.97 -5.01 11.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.061 -0.518 . . . . 1.6399999999999999 111.355 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -107.2 -43.49 4.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.508 -0.315 . . . . 1.46 111.192 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.403 -0.362 . . . . 1.6200000000000001 111.071 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.65 0.262 . . . . 1.3600000000000001 110.836 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 76' ' ' THR . . . -50.04 151.58 1.91 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.142 -0.481 . . . . 1.29 110.866 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.495 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.1 mt -49.95 -28.5 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.753 -0.658 . . . . 1.26 110.786 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.92 -43.06 76.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.064 -0.516 . . . . 3.2200000000000002 110.424 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -35.73 67.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 2.1699999999999999 110.429 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -53.11 115.59 7.79 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 1.53 110.828 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' HD11 ' A' ' 16' ' ' LEU . 33.5 Cg_exo -59.48 121.35 9.74 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.357 2.038 . . . . 0.53000000000000003 112.083 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -57.04 -47.5 98.99 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.102 -0.499 . . . . 2.23 111.538 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 83.9 Cg_exo -48.72 -34.75 28.37 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.372 2.048 . . . . 0.93000000000000005 112.716 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.3 t -85.54 -32.2 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.44 -0.345 . . . . 1.26 110.943 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -60.5 -32.28 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 4.3099999999999996 110.898 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.21 -15.83 11.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.975 -0.557 . . . . 1.22 111.691 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -56.1 12.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.443 -0.344 . . . . 2.6499999999999999 110.857 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.538 HD22 HD12 ' A' ' 95' ' ' LEU . 1.6 tm? -64.07 -37.42 87.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 2.1299999999999999 110.587 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.3 m -58.43 -45.9 87.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.936 0.398 . . . . 0.92000000000000004 110.283 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.05 82.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.56 . . . . 1.21 110.647 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -61.69 -60.69 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.673 -0.694 . . . . 0.92000000000000004 111.114 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD11 HD13 ' A' ' 24' ' ' LEU . 1.3 mt -59.47 -26.37 65.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 1.6599999999999999 111.638 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -54.59 -35.06 62.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.411 -0.359 . . . . 1.21 111.129 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.85 -38.49 79.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 1.3100000000000001 111.04 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.06 -23.91 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 1.6899999999999999 111.082 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.74 67.77 0.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 2.0299999999999998 110.909 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.2 m -137.16 21.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 1.3100000000000001 111.155 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.406 ' HA ' HD13 ' A' ' 37' ' ' LEU . 29.3 p-90 -61.67 -33.07 73.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.57999999999999996 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.92 -33.52 75.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 2.8199999999999998 110.813 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -33.33 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 3.29 110.875 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 34' ' ' TRP . 4.9 mt -64.77 -58.4 6.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 1.27 110.715 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.79 -55.86 12.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 1.0700000000000001 111.545 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 m -60.31 -40.22 89.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 1.22 111.47 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.53 66.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.423 -0.353 . . . . 1.1499999999999999 111.175 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.3 m -104.23 3.9 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 1.1699999999999999 111.003 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 tptt 58.74 93.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.929 -0.578 . . . . 2.6099999999999999 110.995 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.81 158.01 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 1.5800000000000001 110.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -69.15 130.88 90.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.6799999999999999 110.677 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.06 -19.95 35.19 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.48 2.12 . . . . 1.78 112.354 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.99 -31.4 39.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 2.0099999999999998 110.747 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -78.2 -32.12 49.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 1.96 110.798 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -37.33 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.085 0.469 . . . . 1.5 110.285 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -40.59 90.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.582 -0.736 . . . . 2.4399999999999999 110.587 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -40.39 87.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 2.1200000000000001 110.946 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.405 HG23 ' HB2' ' A' ' 64' ' ' GLU . 17.3 mt -67.15 -48.3 79.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 1.1200000000000001 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 t -53.78 -33.03 54.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 1.8100000000000001 111.067 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -62.1 2.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 1.47 111.019 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -61.27 -36.28 79.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 2.5 111.069 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -34.05 74.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 2.2999999999999998 111.082 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 3.7000000000000002 111.051 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.942 0.401 . . . . 1.99 110.847 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.36 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.555 . . . . 1.1200000000000001 111.263 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -28.44 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.97999999999999998 110.87 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -61.07 -51.42 69.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 2.3199999999999998 110.585 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HB2' HG23 ' A' ' 51' ' ' ILE . 10.4 mm-40 -65.61 -40.46 92.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 1.72 110.595 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.21 -46.61 82.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.60999999999999999 110.663 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.47 -31.4 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 1.3100000000000001 111.014 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.31 -51.74 64.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 1.8899999999999999 111.343 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.8 mt -72.96 -50.54 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 1.2 111.743 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -70.74 -11.15 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.69999999999999996 111.091 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.495 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -116.31 54.85 0.57 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 1.0800000000000001 112.482 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -171.16 -37.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.815 -0.707 . . . . 1.54 112.471 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.16 -9.99 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 2.5099999999999998 110.801 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -111.47 -20.21 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 1.8400000000000001 110.802 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m120 57.33 31.21 19.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.077 -0.511 . . . . 3.6400000000000001 111.412 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -77.85 143.5 37.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 3.3500000000000001 110.773 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 8.5 p -89.13 178.37 6.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 1.5600000000000001 111.106 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 t -63.63 -23.06 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 1.8300000000000001 111.108 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -57.9 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 2.27 110.806 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.7 m -53.6 -36.26 61.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 1.28 110.937 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.1 tp -61.74 -39.46 91.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.933 -0.576 . . . . 1.22 110.736 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.457 ' HB2' HG21 ' A' ' 100' ' ' VAL . 25.8 t80 -60.82 -48.78 80.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.027 -0.533 . . . . 0.84999999999999998 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.01 -25.68 67.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 1.24 111.301 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -51.69 56.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 1.8600000000000001 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -57.84 -34.55 69.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.55000000000000004 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -53.58 -37.47 62.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 2.1200000000000001 111.107 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -41.05 84.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 2.7799999999999998 111.109 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -92.6 1.01 57.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 2.1800000000000002 111.183 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? 56.94 45.82 20.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.426 . . . . 3.4199999999999999 111.179 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.8 mt -89.32 80.3 6.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 1.9399999999999999 110.75 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.39 -32.61 50.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 2.4100000000000001 111.311 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.06 -56.45 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 2.0499999999999998 111.245 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.56 -38.59 55.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 1.1799999999999999 111.436 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.8 mtp -59.68 -62.3 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.391 -0.368 . . . . 1.9199999999999999 110.829 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -60.63 -12.61 10.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.514 . . . . 3.8900000000000001 111.258 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.538 HD12 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -74.1 -26.34 60.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 1.46 111.334 -179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.5 71.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.871 0.367 . . . . 1.47 111.522 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.25 -50.9 4.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 3.27 110.927 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -4.28 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 1.6399999999999999 111.575 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.41 ' HB3' HD21 ' A' ' 16' ' ' LEU . 10.6 m-85 -107.34 -23.12 12.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 1.46 111.25 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 81' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 1.6200000000000001 111.792 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 ptt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.643 0.258 . . . . 1.3600000000000001 110.757 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.91 155.06 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 1.29 111.125 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.615 ' HB ' ' HB2' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -53.94 -27.55 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 1.26 110.747 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -37.35 71.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.026 0.441 . . . . 3.2200000000000002 110.232 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -35.38 66.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.793 -0.64 . . . . 2.1699999999999999 110.587 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 3.7 mm? -52.07 117.56 10.35 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.808 -0.633 . . . . 1.53 110.858 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.6 117.69 4.43 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.3 2.0 . . . . 0.53000000000000003 111.991 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.591 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -61.74 -49.83 84.48 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.308 -0.406 . . . . 2.23 111.844 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 12.9 Cg_endo -56.0 -30.44 78.19 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.217 1.945 . . . . 0.93000000000000005 112.688 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -86.11 -42.89 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 1.26 111.053 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' HE ' ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -61.04 -31.72 71.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 4.3099999999999996 110.906 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.09 -14.09 6.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 1.22 111.406 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -67.44 -52.03 44.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 2.6499999999999999 111.083 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HB2' HD21 ' A' ' 95' ' ' LEU . 46.9 tp -77.69 -25.26 49.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.491 -0.322 . . . . 2.1299999999999999 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -42.82 93.2 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.662 -0.496 . . . . 0.92000000000000004 109.662 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.21 94.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.548 -0.751 . . . . 1.21 110.54 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.57 -54.76 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.283 -0.872 . . . . 0.92000000000000004 111.283 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD22 ' HG ' ' A' ' 24' ' ' LEU . 3.7 mm? -57.13 -41.44 79.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 1.6599999999999999 111.05 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' HB2' ' HG ' ' A' ' 62' ' ' SER . 26.4 t70 -74.32 -24.51 59.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 1.21 110.679 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.46 -34.03 75.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 1.3100000000000001 110.598 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.98 2.71 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.84 -0.618 . . . . 1.6899999999999999 110.619 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 61.24 43.48 10.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.826 -0.625 . . . . 2.0299999999999998 110.9 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.651 ' HB ' ' HG2' ' A' ' 36' ' ' GLN . 17.3 m -134.59 61.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 1.3100000000000001 111.356 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 51.1 p-90 -87.71 -27.81 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.354 -0.61 . . . . 0.57999999999999996 109.354 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -26.98 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.27 -0.877 . . . . 2.8199999999999998 110.795 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.651 ' HG2' ' HB ' ' A' ' 33' ' ' VAL . 1.3 pp0? -69.15 -33.12 72.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.711 -0.677 . . . . 3.29 111.262 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.501 ' N ' ' HG3' ' A' ' 36' ' ' GLN . 1.2 mt -69.63 -60.91 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.789 0.328 . . . . 1.27 110.868 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.64 -55.94 16.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 1.0700000000000001 111.621 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.1 m -60.42 -34.34 73.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 1.22 111.964 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.26 -35.76 62.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.809 0.338 . . . . 1.1499999999999999 111.115 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.9 m -106.22 2.61 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 1.1699999999999999 110.836 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.6 96.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.862 -0.608 . . . . 2.6099999999999999 110.937 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -114.02 157.35 22.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.5800000000000001 111.073 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.412 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 76.1 m-85 -68.96 132.09 90.6 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 1.6799999999999999 110.56 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.9 -17.35 23.53 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.558 2.172 . . . . 1.78 112.666 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.96 -33.77 33.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 2.0099999999999998 110.594 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.412 ' HG3' ' HB2' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -77.62 -29.89 52.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 1.96 110.267 179.454 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.04 -31.16 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.917 -0.583 . . . . 1.5 110.625 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.17 -36.8 75.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 2.4399999999999999 110.893 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -49.44 77.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 2.1200000000000001 111.287 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.2 mt -61.22 -52.19 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 1.1200000000000001 111.514 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -32.71 49.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 1.8100000000000001 111.551 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -58.7 -69.02 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.385 -0.37 . . . . 1.47 111.418 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.18 -29.41 69.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 2.5 111.239 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.529 ' HG3' ' HB1' ' A' ' 61' ' ' ALA . 9.7 ttpt -59.42 -42.83 92.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 2.2999999999999998 111.213 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 3.7000000000000002 111.154 -179.733 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.758 0.313 . . . . 1.99 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.529 ' HB1' ' HG3' ' A' ' 55' ' ' LYS . . . -61.75 -39.35 91.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 1.1200000000000001 111.296 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.434 ' HG ' ' HB2' ' A' ' 29' ' ' ASP . 17.3 m -64.74 -35.8 82.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.97999999999999998 111.234 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -60.69 -54.7 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 2.3199999999999998 111.043 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.73 -40.62 95.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 1.72 110.765 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.84 -43.57 77.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.922 -0.581 . . . . 0.60999999999999999 110.995 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -65.84 -38.3 88.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 1.3100000000000001 111.54 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.29 -20.21 64.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 1.8899999999999999 112.138 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.12 -36.87 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.815 0.34 . . . . 1.2 111.703 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -71.87 -52.53 16.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.26 -0.427 . . . . 0.69999999999999996 111.118 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.94 73.73 1.91 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 1.0800000000000001 112.543 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.45 -33.62 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.861 -0.685 . . . . 1.54 112.405 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.81 30.91 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.979 0.419 . . . . 2.5099999999999998 110.714 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' A' ' 74' ' ' ASN . 27.4 m-85 -143.71 32.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.93 -0.577 . . . . 1.8400000000000001 110.681 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 73' ' ' TYR . 3.8 m-80 75.68 -23.94 0.23 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.703 -0.681 . . . . 3.6400000000000001 111.195 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.615 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 44.9 p-80 37.17 -136.6 0.05 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.167 -0.47 . . . . 3.3500000000000001 112.247 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 75' ' ' HIS . 9.6 p 80.36 151.66 0.11 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.126 0.97 . . . . 1.5600000000000001 111.171 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.2 t -60.78 -49.25 85.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.616 -0.72 . . . . 1.8300000000000001 111.915 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -48.99 -44.1 40.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.86 0.362 . . . . 2.27 110.466 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 m -57.51 -41.75 81.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.899 -0.591 . . . . 1.28 110.993 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.35 -39.41 90.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.061 -0.518 . . . . 1.22 111.016 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -60.6 -33.91 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.84999999999999998 110.759 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.79 86.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 1.24 111.221 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.65 -51.46 59.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 1.8600000000000001 111.06 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.487 ' C ' HD12 ' A' ' 89' ' ' LEU . 11.2 m-30 -56.85 -60.94 2.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.018 -0.537 . . . . 0.55000000000000004 111.211 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -51.14 -30.49 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.725 0.298 . . . . 2.1200000000000001 111.526 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -59.92 -35.57 75.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 2.7799999999999998 111.677 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.8 tp -92.17 3.42 55.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.492 -0.322 . . . . 2.1800000000000002 111.702 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? 55.11 51.33 13.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 3.4199999999999999 110.987 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -89.57 72.26 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.9399999999999999 111.005 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.25 -18.98 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 2.4100000000000001 112.206 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.413 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 1.3 m120 -89.18 -60.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.695 0.283 . . . . 2.0499999999999998 111.53 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 89' ' ' LEU . . . -53.6 -23.88 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 1.1799999999999999 111.764 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.37 -59.44 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 1.9199999999999999 111.52 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.488 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 5.6 ptm180 -58.1 -16.51 13.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 3.8900000000000001 111.979 -179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -73.17 -38.93 66.02 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.558 0.207 . . . . 1.46 111.558 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 pt -114.6 10.25 7.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.757 0.313 . . . . 1.47 111.141 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -68.63 -29.85 68.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 3.27 110.567 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.63 2.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.928 -0.578 . . . . 1.6399999999999999 111.61 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -102.47 -40.02 6.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.82 0.343 . . . . 1.46 110.936 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 1.6200000000000001 110.493 179.341 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 112.489 -0.244 . . . . 14.380000000000001 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.25 -28.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 13.41 110.987 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -103.53 134.02 47.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 13.41 110.973 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -139.07 -1.47 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 11.91 110.796 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.78 3.74 2.13 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.948 -0.569 . . . . 7.9199999999999999 111.405 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 49.44 62.28 2.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.247 -0.433 . . . . 8.2400000000000002 111.103 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.12 3.49 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 6.0700000000000003 110.772 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.07 164.92 20.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 3.8599999999999999 110.78 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.2 107.6 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.386 -0.37 . . . . 4.9699999999999998 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' A' ' 76' ' ' THR . 1.4 m -110.92 163.66 13.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.069 -0.514 . . . . 1.9299999999999999 110.885 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.0 ptm -56.14 122.39 11.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 1.3600000000000001 111.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.02 144.6 11.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.0 -0.545 . . . . 1.29 111.239 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -57.34 -29.86 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.636 . . . . 1.26 110.923 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -29.12 54.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 3.2200000000000002 110.518 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tt -78.89 -36.43 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.827 -0.624 . . . . 2.1699999999999999 110.42 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.32 111.7 2.54 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.888 -0.597 . . . . 1.53 110.915 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.52 120.12 7.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.341 2.027 . . . . 0.53000000000000003 112.176 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.604 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -57.43 -49.45 93.81 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.144 -0.48 . . . . 2.23 111.808 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.7 Cg_endo -53.86 -23.01 25.72 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.209 1.94 . . . . 0.93000000000000005 112.365 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -86.23 -42.06 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 1.26 110.807 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -60.24 -26.3 66.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 4.3099999999999996 110.951 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -24.38 50.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.22 111.294 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -43.28 80.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 2.6499999999999999 110.953 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tt -75.3 -42.15 55.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 2.1299999999999999 110.923 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.7 m -57.57 -45.49 85.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.021 0.438 . . . . 0.92000000000000004 110.347 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.15 90.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 1.21 110.832 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -62.96 -60.57 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.7 -0.682 . . . . 0.92000000000000004 111.01 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.08 -23.27 61.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 1.6599999999999999 111.184 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -60.49 -37.49 81.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 1.21 111.052 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.71 -29.67 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.3100000000000001 110.994 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -16.26 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.6899999999999999 111.034 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.06 53.94 9.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 2.0299999999999998 110.967 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.41 32.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 1.3100000000000001 111.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -65.59 -38.11 88.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.57999999999999996 110.856 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -29.31 70.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 2.8199999999999998 110.943 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -7.76 50.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 3.29 110.992 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.9 mt -93.97 -58.48 2.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.322 -0.399 . . . . 1.27 110.096 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 -56.08 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 1.0700000000000001 111.109 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -61.34 -35.51 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 1.22 111.404 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.22 -34.29 66.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.513 -0.312 . . . . 1.1499999999999999 111.356 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.3 m -102.05 4.82 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.396 -0.366 . . . . 1.1699999999999999 110.896 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.46 102.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.893 -0.594 . . . . 2.6099999999999999 111.13 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -132.7 157.59 44.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.5800000000000001 110.997 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 39.3 m-85 -69.74 137.32 87.9 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 1.6799999999999999 110.664 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 31.6 Cg_exo -59.97 -21.72 66.02 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.564 2.176 . . . . 1.78 112.471 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -68.41 -32.11 71.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.418 -0.355 . . . . 2.0099999999999998 110.831 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -32.89 48.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 1.96 110.643 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 t -63.82 -32.68 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 1.5 110.925 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -46.56 89.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 2.4399999999999999 111.055 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.85 -32.47 69.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 2.1200000000000001 111.36 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 mt -76.91 -47.98 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 1.1200000000000001 111.212 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -54.09 -52.84 59.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 1.8100000000000001 111.296 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -57.93 -41.01 81.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 1.47 111.245 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -41.34 97.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 2.5 111.21 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -60.12 -30.59 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 2.2999999999999998 111.27 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.0 -30.91 68.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 3.7000000000000002 111.162 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLY . 6.0 mtt180 -93.72 70.23 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 3.4700000000000002 110.927 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ARG . . . 30.94 55.41 0.27 Allowed Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.657 -0.701 . . . . 2.5499999999999998 113.517 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -129.94 -179.24 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.734 0.302 . . . . 6.0599999999999996 111.104 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.8 m -112.15 125.13 53.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 1.99 110.948 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.06 82.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 1.1200000000000001 111.189 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -33.75 76.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.97999999999999998 110.805 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -51.29 70.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 2.3199999999999998 110.285 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.66 -38.2 88.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 1.72 110.406 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -56.63 -48.08 78.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.845 -0.616 . . . . 0.60999999999999999 110.674 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.83 -34.27 77.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 1.3100000000000001 110.891 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -64.0 -26.2 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 1.8899999999999999 111.464 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.9 mt -94.98 -53.97 7.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.511 -0.313 . . . . 1.2 111.603 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -71.0 -11.57 61.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.69999999999999996 111.008 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.4 58.63 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 1.0800000000000001 112.474 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.34 -29.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.878 -0.677 . . . . 1.54 112.397 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -100.46 -44.01 6.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.861 0.362 . . . . 2.5099999999999998 110.805 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -100.7 -26.78 13.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 1.8400000000000001 110.784 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 65.44 145.64 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.005 -0.543 . . . . 3.6400000000000001 111.361 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.41 -152.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 3.3500000000000001 110.46 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' A' ' 10' ' ' THR . 73.4 p -144.76 158.91 43.6 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.835 0.35 . . . . 1.5600000000000001 111.064 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.01 -17.81 21.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 1.8300000000000001 111.317 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -63.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 2.27 110.919 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 m -55.87 -34.01 65.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 1.28 111.283 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 57.7 tp -61.22 -33.85 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 1.22 111.232 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.35 -60.01 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.84999999999999998 111.177 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.12 -16.14 40.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 1.24 111.721 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 32.6 tp -66.29 -54.21 27.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.7 0.286 . . . . 1.8600000000000001 111.033 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -58.56 -26.59 63.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.55000000000000004 111.218 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -54.73 -18.28 4.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 2.1200000000000001 111.177 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.3 -57.47 12.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 2.7799999999999998 111.344 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mt -92.87 10.52 30.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 2.1800000000000002 111.252 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt 54.4 51.24 14.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 3.4199999999999999 110.874 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -89.1 79.0 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 1.9399999999999999 111.104 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -54.89 -27.78 45.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.125 -0.489 . . . . 2.4100000000000001 110.978 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -68.22 -56.12 9.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 2.0499999999999998 110.916 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.14 -33.69 58.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 1.1799999999999999 111.221 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -66.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 1.9199999999999999 111.238 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -17.02 16.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 3.8900000000000001 111.402 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -40.06 89.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.472 -0.331 . . . . 1.46 110.962 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.83 49.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 1.47 111.285 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 -33.23 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 3.27 110.677 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.18 1.31 3.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 1.6399999999999999 111.347 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -110.79 -12.47 14.28 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.753 0.279 . . . . 1.46 111.753 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.2 m -97.54 170.29 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.758 0.313 . . . . 1.6200000000000001 110.998 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.7 m -54.26 161.06 1.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 2.7799999999999998 111.246 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.15 -5.78 48.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.062 -0.517 . . . . 4.2599999999999998 110.863 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -5.48 18.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 3.1499999999999999 110.949 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.86 -11.7 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 2.29 110.746 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.486 ' HA ' HD13 ' A' ' 108' ' ' ILE . 2.2 m-70 -67.3 84.63 0.15 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 3.7400000000000002 110.774 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.18 -40.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 3.7999999999999998 110.997 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -90.74 -27.64 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.072 0.463 . . . . 2.6800000000000002 110.349 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 105' ' ' HIS . 3.4 mt -52.4 126.33 37.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.459 -0.791 . . . . 3.0499999999999998 111.267 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -62.45 134.86 50.32 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.447 2.098 . . . . 3.1099999999999999 112.174 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.186 -0.911 . . . . 7.9400000000000004 110.963 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.533 -0.227 . . . . 14.380000000000001 112.533 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.77 115.45 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 13.41 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -66.78 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 13.41 110.894 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.7 ttt 55.49 84.62 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 11.91 110.991 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 57.38 -165.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 7.9199999999999999 110.848 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -157.42 152.37 25.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 8.2400000000000002 111.04 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.84 151.3 26.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 6.0700000000000003 110.799 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.49 -165.93 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 3.8599999999999999 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.72 26.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 4.9699999999999998 110.867 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.17 155.02 43.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 1.9299999999999999 111.228 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.6 ptm -57.78 129.38 41.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.3600000000000001 111.173 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 76' ' ' THR . . . -51.91 155.27 1.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.08 -0.509 . . . . 1.29 111.117 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -32.33 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 1.26 110.692 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -56.82 -34.86 68.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.52 . . . . 3.2200000000000002 110.315 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -40.47 96.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.88 -0.6 . . . . 2.1699999999999999 110.491 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.5 112.14 3.41 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.824 -0.625 . . . . 1.53 110.822 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.84 120.83 8.98 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.254 1.969 . . . . 0.53000000000000003 112.007 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.41 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 3.6 mt -54.12 -48.26 94.74 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.157 -0.474 . . . . 2.23 111.679 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 73.1 Cg_exo -48.71 -29.37 14.38 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.228 1.952 . . . . 0.93000000000000005 112.455 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.04 -35.87 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 1.26 111.065 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.506 HH12 HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -59.59 -30.3 68.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 4.3099999999999996 110.945 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -20.88 29.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 1.22 111.488 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -55.57 12.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 2.6499999999999999 111.016 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 95' ' ' LEU . 2.5 tm? -74.66 -30.77 61.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 2.1299999999999999 110.815 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.481 ' HB3' ' HG ' ' A' ' 60' ' ' SER . 10.7 m -59.01 -45.54 90.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.003 0.43 . . . . 0.92000000000000004 110.458 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.1 99.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.823 -0.626 . . . . 1.21 110.847 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -59.83 -54.75 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.531 -0.759 . . . . 0.92000000000000004 111.021 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD22 HD12 ' A' ' 24' ' ' LEU . 3.7 mm? -58.52 -29.27 66.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 1.6599999999999999 110.938 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -72.01 -34.2 68.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.21 110.893 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.51 81.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 1.3100000000000001 110.982 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.43 -8.76 55.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 1.6899999999999999 110.91 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 53.68 63.76 2.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 2.0299999999999998 111.16 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 m -137.26 19.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 1.3100000000000001 111.142 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 20.5 p-90 -61.51 -35.62 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.57999999999999996 110.926 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -63.22 -33.27 75.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 2.8199999999999998 110.877 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.19 -31.19 65.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 3.29 110.909 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.44 -56.46 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 1.27 110.521 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -58.36 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 1.0700000000000001 111.431 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -60.36 -33.3 72.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 1.22 111.718 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.64 -34.28 64.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.46 -0.336 . . . . 1.1499999999999999 111.445 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -104.58 5.55 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 1.1699999999999999 111.104 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.85 94.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 2.6099999999999999 111.024 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.94 161.79 28.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 1.5800000000000001 110.795 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 47.7 m-85 -69.7 137.47 88.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 1.6799999999999999 110.628 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 32.5 Cg_exo -58.66 -21.04 53.67 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.478 2.119 . . . . 1.78 112.349 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -30.31 65.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 2.0099999999999998 110.577 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -78.41 -42.23 30.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 1.96 110.531 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 t -63.98 -40.18 88.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.046 -0.525 . . . . 1.5 110.844 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -60.25 -40.0 88.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.92 -0.582 . . . . 2.4399999999999999 110.886 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.87 67.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 2.1200000000000001 110.968 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -73.13 -49.61 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 1.1200000000000001 111.159 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -33.79 58.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 1.8100000000000001 111.109 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -68.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 1.47 111.11 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -61.1 -24.28 66.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 2.5 111.044 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -60.78 -34.42 74.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 2.2999999999999998 111.012 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -60.18 -34.33 73.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 3.7000000000000002 111.038 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -149.2 75.22 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 3.4700000000000002 110.963 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.03 -104.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.865 -0.683 . . . . 2.5499999999999998 112.376 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -144.34 -70.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.733 0.301 . . . . 6.0599999999999996 110.894 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.481 ' HG ' ' HB3' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -147.1 139.16 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 1.99 110.883 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.97 90.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 1.1200000000000001 111.385 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 m -64.24 -30.05 71.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.97999999999999998 111.014 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.9 -55.89 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 2.3199999999999998 110.889 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -64.98 -37.87 89.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 1.72 110.736 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -57.62 -46.54 83.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.60999999999999999 110.869 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.3 -36.86 85.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 1.3100000000000001 111.213 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.88 -29.11 70.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 1.8899999999999999 111.634 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mt -88.41 -54.81 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 1.2 111.718 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -69.92 -15.1 63.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.69999999999999996 110.926 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -117.7 58.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 1.0800000000000001 112.551 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -166.26 -32.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.73 -0.748 . . . . 1.54 112.422 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -113.92 11.62 17.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 2.5099999999999998 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -121.44 -23.34 5.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 1.8400000000000001 110.85 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 56.2 45.35 23.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.143 -0.48 . . . . 3.6400000000000001 111.244 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -77.5 -162.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 3.3500000000000001 110.684 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 12' ' ' ALA . 30.4 p -144.99 172.56 12.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.391 -0.368 . . . . 1.5600000000000001 110.707 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.531 HG21 ' HA ' ' A' ' 100' ' ' VAL . 29.3 m -63.94 -17.36 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 1.8300000000000001 111.15 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.41 -63.63 1.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 2.27 110.946 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -53.97 -35.51 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 1.28 111.177 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.77 -50.99 71.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 1.22 110.949 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -61.38 -54.43 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.84999999999999998 111.309 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.422 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -60.28 -23.84 64.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 1.24 111.729 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.36 -44.93 81.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.563 -0.29 . . . . 1.8600000000000001 111.161 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -58.85 -32.52 69.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.55000000000000004 111.225 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.422 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -53.35 -43.3 67.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 2.1200000000000001 111.109 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -60.0 -30.94 69.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 2.7799999999999998 111.177 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.08 -6.57 47.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 2.1800000000000002 110.941 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt 57.03 43.0 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 3.4199999999999999 111.17 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.6 mt -89.28 80.07 6.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 1.9399999999999999 110.897 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -54.88 -34.95 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 2.4100000000000001 111.148 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.64 -55.97 8.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 2.0499999999999998 110.931 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.63 47.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 1.1799999999999999 111.126 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 mtm -58.62 -66.53 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 1.9199999999999999 110.858 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.452 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 7.2 ptm180 -58.77 -21.73 56.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.142 -0.481 . . . . 3.8900000000000001 110.8 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.505 HD13 HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.36 -35.11 79.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.46 110.975 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.506 HG23 HH12 ' A' ' 21' ' ' ARG . 1.8 pt -118.21 25.92 4.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 1.47 111.094 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -87.45 76.66 8.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.089 -0.505 . . . . 3.27 111.012 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -176.4 -19.63 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 1.6399999999999999 111.556 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -104.04 3.7 33.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.716 0.293 . . . . 1.46 111.045 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.531 ' HA ' HG21 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -98.47 -175.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 1.6200000000000001 111.225 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.5 t -54.29 154.6 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 2.7799999999999998 111.224 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -81.85 -5.36 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 4.2599999999999998 110.988 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.05 -18.8 65.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 3.1499999999999999 110.95 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mt -84.78 -16.19 42.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 2.29 110.978 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -70.19 79.43 0.52 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.423 -0.353 . . . . 3.7400000000000002 110.654 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.23 7.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.422 -0.354 . . . . 3.7999999999999998 111.596 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -153.12 12.96 0.49 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.019 -0.272 . . . . 2.6800000000000002 111.68 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.4 113.73 8.26 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.754 -0.203 . . . . 3.0499999999999998 110.616 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.82 139.93 84.49 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.388 2.059 . . . . 3.1099999999999999 112.452 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.211 -0.9 . . . . 7.9400000000000004 111.027 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.508 -0.237 . . . . 14.380000000000001 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.82 123.89 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.829 0.347 . . . . 13.41 111.145 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.9 t60 61.65 105.06 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.013 -0.54 . . . . 13.41 111.096 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 29.6 mtt -90.84 -72.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 11.91 110.913 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 p -125.8 117.54 23.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 7.9199999999999999 110.97 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -73.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 8.2400000000000002 111.013 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.71 168.77 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 6.0700000000000003 110.901 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 57.27 86.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 3.8599999999999999 110.889 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -97.16 120.42 37.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 4.9699999999999998 111.011 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.87 164.17 13.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 1.9299999999999999 111.015 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.9 ptm -57.11 127.49 32.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.155 -0.475 . . . . 1.3600000000000001 110.895 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.77 145.43 9.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 1.29 111.128 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -55.72 -26.72 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 1.26 110.739 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -54.63 -38.94 67.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 3.2200000000000002 110.606 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -40.12 94.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 2.1699999999999999 110.782 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.42 108.75 1.13 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.024 -0.534 . . . . 1.53 111.08 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HB2' HG22 ' A' ' 20' ' ' VAL . 51.6 Cg_exo -52.21 128.8 28.65 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.349 2.033 . . . . 0.53000000000000003 112.329 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.602 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -62.45 -49.9 81.45 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.173 -0.467 . . . . 2.23 111.685 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.1 Cg_endo -53.35 -30.41 52.34 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.142 1.894 . . . . 0.93000000000000005 112.366 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 17' ' ' PRO . 40.7 t -86.25 -37.82 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 1.26 110.79 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HE ' ' HB3' ' A' ' 66' ' ' LEU . 4.7 ttp180 -61.06 -34.4 74.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.994 -0.548 . . . . 4.3099999999999996 110.787 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -24.12 49.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 1.22 111.223 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -67.14 -46.45 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 2.6499999999999999 110.576 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.6 tp -72.4 -37.89 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 2.1299999999999999 110.651 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.7 m -59.59 -39.42 84.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.92000000000000004 110.188 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.92 99.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 1.21 110.515 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -60.07 -51.33 70.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.451 -0.795 . . . . 0.92000000000000004 110.683 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 28' ' ' LEU . 4.5 mm? -59.58 -36.4 76.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.847 -0.615 . . . . 1.6599999999999999 111.077 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.0 -32.97 74.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 1.21 110.899 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.79 81.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.3100000000000001 111.132 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -9.88 58.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 1.6899999999999999 111.05 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 55.12 57.06 5.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 2.0299999999999998 110.979 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.85 31.27 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 1.3100000000000001 110.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -70.1 -35.93 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.57999999999999996 110.87 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.6 -30.32 71.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 2.8199999999999998 110.874 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -71.96 -29.36 64.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 3.29 110.861 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.65 -59.66 3.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.368 -0.378 . . . . 1.27 110.263 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.87 38.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 1.0700000000000001 111.194 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -61.28 -35.74 78.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 1.22 111.397 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.36 -33.27 65.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.4 -0.364 . . . . 1.1499999999999999 111.047 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 m -103.39 1.57 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 1.1699999999999999 110.585 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.53 93.08 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.685 -0.688 . . . . 2.6099999999999999 111.346 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.95 156.03 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 1.5800000000000001 110.69 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -69.86 128.77 91.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 1.6799999999999999 110.817 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.56 -24.04 34.73 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.392 2.061 . . . . 1.78 112.437 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -37.97 68.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.429 . . . . 2.0099999999999998 110.787 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -36.46 45.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.96 110.849 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.3 t -64.87 -24.97 36.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 1.5 110.935 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.48 -32.62 70.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.976 -0.556 . . . . 2.4399999999999999 111.016 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -59.64 -33.66 71.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 2.1200000000000001 110.984 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.7 mt -75.91 -51.83 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 1.1200000000000001 111.306 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -43.78 72.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 1.8100000000000001 111.272 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -58.55 -57.17 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.47 111.368 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -61.85 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 2.5 110.83 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HG3' ' HB3' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -60.46 -33.7 72.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 2.2999999999999998 111.16 -179.686 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -13.71 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 3.7000000000000002 111.185 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.97 92.59 1.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 3.4700000000000002 110.885 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.06 -23.49 5.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 2.5499999999999998 112.589 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB3' ' H ' ' A' ' 60' ' ' SER . 27.5 mmt180 56.86 -156.78 0.29 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.678 0.275 . . . . 6.0599999999999996 110.825 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.43 ' H ' ' HB3' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 57.54 55.02 5.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.02 0.438 . . . . 1.99 110.794 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB3' ' HG3' ' A' ' 55' ' ' LYS . . . -61.22 -29.53 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.936 -0.575 . . . . 1.1200000000000001 111.181 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -64.81 -36.13 83.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.97999999999999998 111.054 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -53.01 62.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 2.3199999999999998 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.561 ' HG3' ' HG2' ' A' ' 54' ' ' GLN . 15.2 mm-40 -64.39 -42.26 96.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 1.72 110.902 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -56.61 -44.3 81.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.60999999999999999 110.797 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.429 ' HB3' ' HE ' ' A' ' 21' ' ' ARG . 1.1 mm? -65.35 -33.95 77.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 1.3100000000000001 111.197 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.52 -52.64 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 1.8899999999999999 111.631 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.62 -50.11 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 1.2 111.872 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -70.11 -63.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.69999999999999996 111.009 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.6 87.21 1.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.65 -0.786 . . . . 1.0800000000000001 112.562 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 158.53 -34.03 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 1.54 112.526 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -96.36 -39.5 9.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 2.5099999999999998 111.03 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -81.0 -2.16 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 1.8400000000000001 110.946 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 55.49 47.52 20.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.028 0.442 . . . . 3.6400000000000001 110.7 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.79 -163.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 3.3500000000000001 111.019 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 61.6 p -143.64 161.98 37.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.37 -0.377 . . . . 1.5600000000000001 110.854 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.95 -14.55 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.995 -0.548 . . . . 1.8300000000000001 111.787 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -58.27 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 2.27 111.12 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.0 m -53.75 -36.74 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 1.28 111.379 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.16 -38.21 85.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 1.22 110.852 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -61.41 -58.33 8.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.84999999999999998 110.853 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.83 -18.03 58.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.938 -0.574 . . . . 1.24 111.437 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.83 -59.96 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 1.8600000000000001 111.028 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.408 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 26.2 m-85 -57.86 -27.27 63.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.233 -0.44 . . . . 0.55000000000000004 111.181 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -53.1 -35.68 59.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 2.1200000000000001 110.934 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -40.71 84.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 2.7799999999999998 110.892 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -93.33 -0.44 56.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 2.1800000000000002 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 56.46 46.01 21.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 3.4199999999999999 110.908 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 80.0 mt -89.3 76.47 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.9399999999999999 110.917 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -33.87 60.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 2.4100000000000001 111.022 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.91 -50.41 66.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 2.0499999999999998 111.097 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.12 -37.67 61.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 1.1799999999999999 111.381 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.0 mtt -59.91 -45.28 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 1.9199999999999999 111.131 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -58.25 -20.76 44.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 3.8900000000000001 111.637 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 92' ' ' ALA . 0.6 OUTLIER -76.88 -36.24 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.567 -0.288 . . . . 1.46 111.196 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.92 64.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 1.47 111.411 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -103.05 -49.12 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 3.27 110.648 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.82 10.35 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 1.6399999999999999 111.318 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' A' ' 97' ' ' LYS . 92.1 m-85 -113.99 -6.55 13.15 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.203 0.445 . . . . 1.46 112.203 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.87 -175.84 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.834 0.349 . . . . 1.6200000000000001 111.137 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.2 157.65 1.82 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 2.7799999999999998 111.442 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -75.62 -9.22 58.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.977 -0.556 . . . . 4.2599999999999998 110.875 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.61 -25.2 65.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.292 -0.413 . . . . 3.1499999999999999 110.743 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.9 mp -85.39 -9.33 57.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 2.29 111.271 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.45 ' HA ' HD12 ' A' ' 108' ' ' ILE . 3.9 m-70 -70.44 83.87 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 3.7400000000000002 110.777 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.39 -32.28 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 3.7999999999999998 110.943 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -90.34 -17.13 27.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 2.6800000000000002 110.478 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 105' ' ' HIS . 1.4 mp -51.75 127.67 34.46 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.646 -0.706 . . . . 3.0499999999999998 111.003 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.538 ' HB2' ' HE ' ' A' ' 110' ' ' ARG . 90.3 Cg_endo -79.36 149.62 21.81 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.516 2.144 . . . . 3.1099999999999999 112.516 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.538 ' HE ' ' HB2' ' A' ' 109' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.322 -0.846 . . . . 7.9400000000000004 111.084 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.471 -0.252 . . . . 14.380000000000001 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -144.45 -39.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 13.41 110.891 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -44.89 63.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 13.41 110.813 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.7 mmm -110.93 -175.65 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 11.91 110.812 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t 55.69 70.09 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 7.9199999999999999 111.08 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 58.97 -174.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.006 -0.543 . . . . 8.2400000000000002 111.168 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.67 -170.43 2.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.063 -0.517 . . . . 6.0700000000000003 110.831 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.26 136.54 57.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 3.8599999999999999 110.797 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -90.03 68.12 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 4.9699999999999998 111.137 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.58 136.55 54.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 1.9299999999999999 111.082 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.7 ptm -56.85 123.75 16.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 1.3600000000000001 111.185 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.35 153.02 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.29 110.654 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -53.7 -27.85 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 1.26 110.632 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -33.73 64.87 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.056 -0.52 . . . . 3.2200000000000002 110.716 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -40.86 83.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.449 . . . . 2.1699999999999999 110.493 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.06 109.58 1.55 Allowed Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 115.969 -0.56 . . . . 1.53 110.75 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HB2' HG23 ' A' ' 20' ' ' VAL . 49.9 Cg_exo -56.22 132.55 52.61 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.348 2.032 . . . . 0.53000000000000003 112.266 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.9 tp -60.41 -47.86 95.31 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.036 -0.529 . . . . 2.23 111.59 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 72.8 Cg_exo -50.06 -30.98 26.45 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.123 1.882 . . . . 0.93000000000000005 112.47 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG23 ' HB2' ' A' ' 17' ' ' PRO . 24.3 t -86.14 -36.9 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 1.26 111.03 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.539 ' HA ' HH11 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.78 -36.58 79.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 4.3099999999999996 110.805 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.99 -17.81 19.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.037 -0.529 . . . . 1.22 111.564 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.34 -64.05 0.93 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.459 -0.337 . . . . 2.6499999999999999 111.131 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HG ' HD21 ' A' ' 28' ' ' LEU . 47.8 tp -70.45 -29.04 65.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 2.1299999999999999 111.087 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.5 m -60.7 -46.2 91.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.393 . . . . 0.92000000000000004 110.441 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.32 93.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.538 . . . . 1.21 110.835 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -59.12 -55.5 34.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.57 -0.741 . . . . 0.92000000000000004 111.162 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD21 ' HG ' ' A' ' 24' ' ' LEU . 4.6 mm? -60.48 -46.37 90.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 1.6599999999999999 111.254 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.04 -18.99 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 1.21 111.319 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.05 86.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 1.3100000000000001 110.933 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.74 0.16 11.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 1.6899999999999999 110.968 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.05 46.58 16.07 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.169 -0.469 . . . . 2.0299999999999998 110.711 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.77 22.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.869 -0.605 . . . . 1.3100000000000001 111.275 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 -58.23 -30.09 66.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.57999999999999996 110.959 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.27 -28.27 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 2.8199999999999998 110.882 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.28 -38.06 68.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 3.29 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.7 mt -60.93 -58.49 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.35 -0.386 . . . . 1.27 110.955 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.8 -58.1 6.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 1.0700000000000001 111.617 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -60.93 -32.94 72.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 1.22 111.91 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.06 -34.39 65.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.768 0.318 . . . . 1.1499999999999999 111.32 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.1 m -102.64 3.79 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.303 -0.408 . . . . 1.1699999999999999 110.847 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.76 93.17 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.949 -0.569 . . . . 2.6099999999999999 110.981 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -120.13 161.86 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 1.5800000000000001 110.93 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -69.47 136.71 88.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.6799999999999999 110.465 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -57.78 -18.05 32.29 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.472 2.114 . . . . 1.78 112.206 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.83 -34.66 62.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.504 . . . . 2.0099999999999998 110.547 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.77 -38.82 45.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 1.96 110.468 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.7 t -63.76 -42.36 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 1.5 110.643 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -41.08 94.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.546 . . . . 2.4399999999999999 110.575 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.03 -43.31 95.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.831 -0.622 . . . . 2.1200000000000001 110.858 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 mt -62.97 -49.64 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 1.1200000000000001 111.246 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 t -53.76 -38.28 64.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 1.8100000000000001 111.178 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -59.19 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 1.47 111.212 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.86 -31.2 70.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 2.5 111.199 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' HG3' ' HB3' ' A' ' 61' ' ' ALA . 1.5 ttmt -59.94 -40.74 89.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 2.2999999999999998 110.952 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -60.45 -26.63 66.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 3.7000000000000002 111.289 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -93.2 70.37 4.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.35 . . . . 3.4700000000000002 110.963 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 38.23 65.29 0.72 Allowed Glycine 0 C--N 1.332 0.334 0 CA-C-N 115.613 -0.722 . . . . 2.5499999999999998 113.458 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -146.6 -176.58 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 6.0599999999999996 111.067 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.3 122.24 42.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 1.99 110.896 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB3' ' HG3' ' A' ' 55' ' ' LYS . . . -61.31 -36.96 81.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 1.1200000000000001 111.197 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.8 m -65.32 -40.47 93.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.97999999999999998 110.769 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.47 -52.02 66.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 2.3199999999999998 110.611 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.21 -37.4 87.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 1.72 110.701 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.98 -46.59 84.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.066 -0.515 . . . . 0.60999999999999999 110.662 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.91 -30.78 71.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 1.3100000000000001 110.867 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -62.71 -64.04 1.04 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 1.8899999999999999 110.941 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.76 -39.78 80.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 1.2 111.316 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -71.45 -18.44 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.69999999999999996 110.673 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.24 56.21 0.49 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.946 -0.645 . . . . 1.0800000000000001 112.499 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.47 -37.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 1.54 112.469 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.41 -26.95 26.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 2.5099999999999998 110.787 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -111.9 -25.57 9.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 1.8400000000000001 110.767 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 57.25 47.74 16.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 3.6400000000000001 111.125 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -77.07 150.36 35.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 3.3500000000000001 110.474 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.1 p -88.08 171.7 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.364 . . . . 1.5600000000000001 111.205 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.4 m -63.03 -20.67 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 1.8300000000000001 111.116 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.4 -54.47 43.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 2.27 110.66 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 m -55.6 -35.34 65.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 1.28 111.001 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 58.5 tp -61.13 -35.21 76.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 1.22 110.728 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -62.3 -52.77 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.84999999999999998 110.87 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.01 -17.91 58.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.988 -0.551 . . . . 1.24 111.687 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 51.3 tp -65.75 -64.2 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.425 -0.352 . . . . 1.8600000000000001 111.0 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -58.57 -26.96 64.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.55000000000000004 111.218 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -53.96 -25.35 20.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.244 -0.435 . . . . 2.1200000000000001 111.112 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -58.44 -47.33 84.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 2.7799999999999998 111.218 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -93.23 2.32 56.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.378 . . . . 2.1800000000000002 111.107 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? 56.36 52.87 9.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 3.4199999999999999 110.999 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mt -88.92 80.69 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.9399999999999999 110.813 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -54.13 -29.54 45.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 2.4100000000000001 111.138 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -72.58 -55.68 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 2.0499999999999998 111.067 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.98 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 1.1799999999999999 111.319 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.9 mtp -58.93 -56.0 27.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 1.9199999999999999 111.003 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -57.46 -26.03 60.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.936 -0.574 . . . . 3.8900000000000001 111.301 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -34.61 78.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.43 -0.35 . . . . 1.46 111.335 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.44 HG21 HD21 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -122.53 30.73 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 1.47 111.633 -179.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.45 -18.48 29.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.348 . . . . 3.27 110.677 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -67.3 -5.66 15.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 1.6399999999999999 111.118 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.23 -38.74 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 1.46 110.848 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.7 m -97.68 165.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 1.6200000000000001 110.773 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.41 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 21.7 p -179.96 29.2 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.329 0.492 . . . . 2.7799999999999998 112.329 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.38 -68.23 0.81 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.916 0.389 . . . . 4.2599999999999998 111.235 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.16 -33.42 59.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 3.1499999999999999 112.136 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.24 -6.17 59.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.996 0.369 . . . . 2.29 111.996 -178.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.547 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -70.83 82.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 3.7400000000000002 110.899 179.477 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.37 1.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.016 -0.538 . . . . 3.7999999999999998 110.926 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -151.46 9.99 0.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.442 -0.345 . . . . 2.6800000000000002 111.642 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.6 mp -58.25 120.22 41.91 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.765 -0.198 . . . . 3.0499999999999998 110.58 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.41 148.43 92.97 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.496 2.13 . . . . 3.1099999999999999 112.126 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.195 -0.907 . . . . 7.9400000000000004 110.833 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.444 -0.262 . . . . 14.380000000000001 112.444 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.39 -67.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.349 . . . . 13.41 110.854 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -98.41 74.59 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 13.41 110.826 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.7 mtt -135.74 154.65 51.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 11.91 110.918 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.29 177.88 7.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 7.9199999999999999 110.88 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -86.63 97.21 10.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 8.2400000000000002 111.066 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.57 176.62 6.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 6.0700000000000003 110.706 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -141.09 148.98 40.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 3.8599999999999999 110.971 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.97 130.6 37.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.499 . . . . 4.9699999999999998 110.877 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 p -138.19 -90.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 1.9299999999999999 111.093 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.65 119.16 2.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 1.3600000000000001 110.859 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HB1' ' HG2' ' A' ' 14' ' ' ARG . . . -50.65 154.85 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 1.29 111.175 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 ' HA3' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -55.1 -29.44 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.67 . . . . 1.26 110.927 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' HG2' ' HB1' ' A' ' 12' ' ' ALA . 10.0 ptm180 -55.64 -31.3 62.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.353 -0.385 . . . . 3.2200000000000002 110.806 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.93 -38.38 61.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 2.1699999999999999 110.741 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.33 113.13 3.98 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.083 -0.508 . . . . 1.53 110.878 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.17 124.15 15.29 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.369 2.046 . . . . 0.53000000000000003 112.204 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -54.07 -49.73 88.28 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.117 -0.492 . . . . 2.23 111.758 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.9 Cg_endo -50.98 -27.77 22.15 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.329 2.019 . . . . 0.93000000000000005 112.586 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.6 t -85.59 -37.54 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 1.26 110.944 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.434 HH22 HD22 ' A' ' 24' ' ' LEU . 1.7 mmp_? -61.13 -40.8 95.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 4.3099999999999996 110.951 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -20.75 25.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.999 -0.546 . . . . 1.22 111.778 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -55.83 11.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.509 -0.314 . . . . 2.6499999999999999 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.555 ' HG ' HD23 ' A' ' 28' ' ' LEU . 42.8 tp -70.15 -34.41 72.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.375 . . . . 2.1299999999999999 110.509 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.8 m -59.87 -38.38 82.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.92000000000000004 110.282 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.96 95.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 1.21 110.608 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -60.86 -50.23 74.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.762 -0.653 . . . . 0.92000000000000004 110.694 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.555 HD23 ' HG ' ' A' ' 24' ' ' LEU . 4.5 mm? -60.0 -22.23 62.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.799 -0.637 . . . . 1.6599999999999999 111.121 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -72.63 -35.62 67.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 1.21 110.965 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.58 76.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 1.3100000000000001 111.043 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mp -72.0 -10.96 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.6899999999999999 111.086 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 54.46 34.88 21.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.139 -0.482 . . . . 2.0299999999999998 110.81 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 m -108.04 26.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 1.3100000000000001 111.245 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 31.5 p-90 -66.81 -38.14 85.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.57999999999999996 110.945 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -29.12 70.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 2.8199999999999998 111.035 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -71.89 -37.74 70.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 3.29 110.92 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.42 -56.77 16.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.387 -0.369 . . . . 1.27 110.606 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.9 -58.46 5.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.982 -0.554 . . . . 1.0700000000000001 111.531 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -60.32 -36.1 77.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 1.22 111.573 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.01 -34.9 66.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.848 0.356 . . . . 1.1499999999999999 111.187 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.61 5.61 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 1.1699999999999999 110.868 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 tptt 57.74 96.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.036 -0.529 . . . . 2.6099999999999999 110.997 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mt -119.72 162.68 18.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 1.5800000000000001 110.868 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 78.4 m-85 -69.88 135.2 87.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 1.6799999999999999 110.685 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 36.1 Cg_exo -59.42 -21.05 59.45 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.503 2.135 . . . . 1.78 112.368 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -77.96 -26.0 48.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 2.0099999999999998 110.636 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -78.04 -30.78 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 1.96 110.584 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.39 -41.07 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 1.5 110.668 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -40.82 94.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 2.4399999999999999 110.795 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.99 -35.54 73.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 2.1200000000000001 110.945 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.8 mt -74.12 -56.28 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 1.1200000000000001 111.339 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -53.0 -32.35 45.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 1.8100000000000001 111.078 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 t -59.77 -68.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.47 111.153 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -62.75 -15.3 52.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 2.5 111.46 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.02 -58.27 9.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.475 -0.33 . . . . 2.2999999999999998 111.337 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -11.63 9.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.35 -0.386 . . . . 3.7000000000000002 111.405 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -92.1 70.36 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 3.4700000000000002 110.91 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.38 46.94 1.49 Allowed Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.635 -0.711 . . . . 2.5499999999999998 113.396 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mmt-85 -143.27 174.71 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 6.0599999999999996 111.181 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.7 m -110.97 136.11 50.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 1.99 110.876 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.55 -38.06 86.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 1.1200000000000001 111.454 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.4 m -64.69 -32.08 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.97999999999999998 111.337 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -60.84 -58.13 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 2.3199999999999998 111.199 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -64.49 -37.12 86.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.72 110.767 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -57.85 -41.54 82.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.60999999999999999 110.778 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -42.55 94.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 1.3100000000000001 111.308 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -62.74 -42.61 99.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.333 -0.394 . . . . 1.8899999999999999 111.541 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.0 mt -72.43 -51.07 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 1.2 111.72 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -70.75 -16.25 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.69999999999999996 110.932 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.462 ' HA3' HG23 ' A' ' 13' ' ' ILE . . . -132.08 57.81 0.71 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 1.0800000000000001 112.452 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.58 -45.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.737 -0.744 . . . . 1.54 112.587 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -102.19 -31.29 10.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.8 0.333 . . . . 2.5099999999999998 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -95.07 -22.7 17.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 1.8400000000000001 110.807 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t30 65.43 143.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.989 -0.551 . . . . 3.6400000000000001 111.151 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.68 -156.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 3.3500000000000001 110.853 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.525 ' HB ' ' HG2' ' A' ' 78' ' ' GLN . 0.6 OUTLIER -147.88 158.33 43.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.9 0.381 . . . . 1.5600000000000001 111.198 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.2 m -64.85 -31.87 55.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.03 -0.532 . . . . 1.8300000000000001 111.96 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.525 ' HG2' ' HB ' ' A' ' 76' ' ' THR . 7.2 pt20 -54.82 -49.26 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 2.27 111.049 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.1 m -55.92 -34.04 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 1.28 111.568 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.98 -39.23 88.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 1.22 111.143 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.36 -56.92 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.84999999999999998 110.952 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.541 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -61.99 -17.43 57.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 1.24 111.57 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.8 tp -67.63 -54.85 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.41 -0.359 . . . . 1.8600000000000001 111.509 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -57.62 -18.1 18.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.55000000000000004 111.851 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.541 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mmtm -53.53 -41.67 66.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 2.1200000000000001 110.988 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.46 -36.09 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 2.7799999999999998 111.244 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 mt -92.37 -7.3 48.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 2.1800000000000002 111.064 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.64 31.93 20.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 3.4199999999999999 111.215 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 73.5 mt -89.43 70.47 8.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 1.9399999999999999 110.715 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -54.34 -35.22 62.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 2.4100000000000001 111.294 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.451 ' HA ' ' HG3' ' A' ' 94' ' ' ARG . 14.1 p-10 -58.8 -47.28 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 2.0499999999999998 111.227 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.6 -43.34 72.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.442 . . . . 1.1799999999999999 111.349 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.8 mtt -59.42 -33.7 71.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 1.9199999999999999 111.367 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.451 ' HG3' ' HA ' ' A' ' 91' ' ' ASN . 3.5 mmm180 -58.63 -20.65 49.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 3.8900000000000001 111.559 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.452 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.6 mp -85.11 -21.74 29.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.49 -0.323 . . . . 1.46 111.292 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.98 64.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 1.47 111.235 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 99' ' ' TYR . 4.0 mttp -104.58 -52.45 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 3.27 111.002 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.92 6.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.6399999999999999 111.547 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.438 ' H ' ' C ' ' A' ' 97' ' ' LYS . 39.9 m-85 -108.73 -18.92 13.59 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.708 -0.224 . . . . 1.46 111.364 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.6 m -97.98 -173.3 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 1.6200000000000001 111.372 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.07 164.37 0.64 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.008 -0.542 . . . . 2.7799999999999998 111.417 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.69 -5.38 53.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.96 -0.564 . . . . 4.2599999999999998 110.926 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -23.16 66.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 3.1499999999999999 110.691 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 mp -84.99 -21.2 29.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 2.29 110.867 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.593 ' HA ' HD13 ' A' ' 108' ' ' ILE . 14.4 m-70 -67.76 84.19 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.313 -0.403 . . . . 3.7400000000000002 110.703 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.32 -40.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 3.7999999999999998 111.086 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -90.14 -10.75 43.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.017 0.437 . . . . 2.6800000000000002 110.469 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.7 mp -51.78 112.81 3.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.513 -0.767 . . . . 3.0499999999999998 111.047 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.48 172.08 8.42 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.463 2.109 . . . . 3.1099999999999999 112.019 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 110' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.206 -0.902 . . . . 7.9400000000000004 110.833 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.432 -0.267 . . . . 14.380000000000001 112.432 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 m -112.09 -3.33 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 13.41 110.821 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.36 -71.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 13.41 110.982 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.02 121.04 20.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 11.91 110.9 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -99.56 -56.59 2.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 7.9199999999999999 110.903 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 54.11 81.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 8.2400000000000002 110.945 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp 57.5 -94.47 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.029 -0.532 . . . . 6.0700000000000003 111.0 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.73 82.67 0.2 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.982 0.42 . . . . 3.8599999999999999 110.957 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -115.46 132.28 56.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 4.9699999999999998 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.68 -178.19 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 1.9299999999999999 111.085 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -55.98 135.77 52.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 1.3600000000000001 111.119 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.81 142.15 15.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.225 0.536 . . . . 1.29 111.351 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -57.53 -33.38 44.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.272 -0.876 . . . . 1.26 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -31.93 62.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.411 . . . . 3.2200000000000002 110.9 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.44 -33.09 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 2.1699999999999999 110.915 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 110.63 1.86 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 1.53 111.033 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.89 121.18 7.69 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.483 2.122 . . . . 0.53000000000000003 112.46 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.593 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.9 tp -58.21 -48.75 96.46 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.026 -0.534 . . . . 2.23 111.792 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.5 Cg_endo -53.86 -24.68 32.19 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.102 1.868 . . . . 0.93000000000000005 112.444 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -86.21 -42.55 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.403 -0.362 . . . . 1.26 110.706 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.34 -38.16 82.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 4.3099999999999996 110.887 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.42 -22.43 31.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 1.22 111.743 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -67.41 -35.28 78.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 2.6499999999999999 110.789 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 tt -90.6 -34.87 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 2.1299999999999999 110.889 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.1 m -59.26 -40.94 87.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.92000000000000004 110.445 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.07 97.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.961 -0.563 . . . . 1.21 110.85 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -62.4 -56.87 14.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.8 -0.636 . . . . 0.92000000000000004 111.17 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.69 -42.74 89.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.977 -0.556 . . . . 1.6599999999999999 111.223 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.08 -27.61 69.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 1.21 111.073 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.92 -36.72 80.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 1.3100000000000001 110.913 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mp -72.26 -0.06 11.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 1.6899999999999999 110.919 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 56.15 56.55 5.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.165 -0.471 . . . . 2.0299999999999998 110.8 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.39 23.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.541 . . . . 1.3100000000000001 111.221 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -58.81 -35.2 72.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.57999999999999996 110.996 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -28.29 69.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 2.8199999999999998 110.829 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.511 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.24 -32.12 66.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.015 -0.539 . . . . 3.29 110.427 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HG ' ' NE2' ' A' ' 36' ' ' GLN . 1.4 mt -67.66 -56.68 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 1.27 110.348 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' HA ' HD11 ' A' ' 43' ' ' LEU . . . -52.33 -56.37 15.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 1.0700000000000001 111.291 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.4 m -60.91 -32.63 72.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 1.22 111.667 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.97 63.46 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.575 -0.284 . . . . 1.1499999999999999 111.379 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG22 ' HG ' ' A' ' 43' ' ' LEU . 3.7 m -104.82 5.96 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.441 -0.345 . . . . 1.1699999999999999 111.222 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt 57.14 94.16 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.079 -0.51 . . . . 2.6099999999999999 111.11 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.487 HD11 ' HA ' ' A' ' 38' ' ' ALA . 81.3 mt -119.88 153.26 36.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 1.5800000000000001 110.971 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -69.27 131.8 90.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.6799999999999999 110.625 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.43 -13.28 16.27 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.456 2.104 . . . . 1.78 112.402 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -84.79 -36.35 21.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 2.0099999999999998 110.829 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -37.63 41.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 1.96 110.762 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.8 t -64.42 -23.4 33.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 1.5 110.967 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -30.5 68.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 2.4399999999999999 110.811 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -59.82 -42.01 92.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 2.1200000000000001 111.077 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.8 mt -70.29 -51.99 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 1.1200000000000001 111.312 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 p -53.34 -24.67 12.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 1.8100000000000001 111.181 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -57.4 -67.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 1.47 110.704 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -62.3 -32.05 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 2.5 110.749 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.533 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 2.8 ttpt -59.97 -21.43 61.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 2.2999999999999998 111.2 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -4.34 1.57 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.335 -0.393 . . . . 3.7000000000000002 111.531 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -148.64 71.64 1.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.823 0.344 . . . . 3.4700000000000002 111.428 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.26 82.13 0.03 OUTLIER Glycine 0 C--N 1.333 0.362 0 CA-C-N 116.055 -0.52 . . . . 2.5499999999999998 113.324 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.533 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . 6.8 mmt180 -142.66 138.29 30.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 6.0599999999999996 110.977 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.1 t -69.86 96.8 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 1.99 110.984 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.83 83.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 1.1200000000000001 111.483 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 m -64.94 -37.06 86.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.327 -0.397 . . . . 0.97999999999999998 111.163 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.41 -54.7 42.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 2.3199999999999998 110.769 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.98 -37.68 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 1.72 110.582 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -56.32 -45.0 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.60999999999999999 110.719 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -42.06 96.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 1.3100000000000001 111.083 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -63.13 -27.63 69.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 1.8899999999999999 111.73 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.06 -32.44 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.814 0.301 . . . . 1.2 111.814 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -72.77 -20.86 61.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.474 -0.33 . . . . 0.69999999999999996 111.301 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.04 18.88 5.26 Favored Glycine 0 N--CA 1.454 -0.128 0 C-N-CA 120.686 -0.769 . . . . 1.0800000000000001 112.57 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.57 -3.88 18.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 1.54 112.599 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -152.12 3.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 2.5099999999999998 111.043 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -120.98 -29.33 4.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.428 . . . . 1.8400000000000001 111.11 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.5 120.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.485 . . . . 3.6400000000000001 110.843 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.23 -153.71 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 3.3500000000000001 110.997 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.474 ' HG1' ' HB2' ' A' ' 78' ' ' GLN . 59.1 p -143.63 158.85 43.36 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.84 0.352 . . . . 1.5600000000000001 111.154 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.37 -14.11 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 1.8300000000000001 111.743 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.474 ' HB2' ' HG1' ' A' ' 76' ' ' THR . 0.0 OUTLIER -57.96 -54.97 40.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 2.27 110.882 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.4 m -55.37 -34.89 64.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 1.28 110.992 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.5 tp -60.84 -35.04 75.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 1.22 110.791 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -62.1 -60.46 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.84999999999999998 111.056 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.65 -17.99 57.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.075 -0.512 . . . . 1.24 111.563 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.19 -60.97 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 1.8600000000000001 111.046 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -59.0 -32.13 69.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.456 -0.338 . . . . 0.55000000000000004 111.025 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -26.67 28.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.191 -0.459 . . . . 2.1200000000000001 111.496 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -57.99 -48.48 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 2.7799999999999998 111.076 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.44 3.51 55.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 2.1800000000000002 111.13 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt 56.51 53.29 8.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 3.4199999999999999 111.108 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.76 79.29 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 1.9399999999999999 110.672 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -34.3 57.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.937 -0.574 . . . . 2.4100000000000001 111.373 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -64.31 -58.96 5.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 2.0499999999999998 111.063 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.59 -33.36 60.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 1.1799999999999999 111.33 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.3 mmm -59.7 -59.08 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.9199999999999999 111.831 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -56.22 -24.66 43.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.587 -0.279 . . . . 3.8900000000000001 111.577 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -35.81 80.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 1.46 110.833 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.2 pt -121.9 40.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.309 -0.405 . . . . 1.47 111.062 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.494 ' HE2' ' HH ' ' A' ' 107' ' ' TYR . 1.2 mmtp -99.99 54.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 3.27 111.117 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -172.91 8.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 1.6399999999999999 111.775 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -115.07 -0.91 13.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.808 0.337 . . . . 1.46 110.918 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -169.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 1.6200000000000001 111.103 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.02 171.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 2.7799999999999998 111.462 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.78 -5.19 42.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.079 -0.509 . . . . 4.2599999999999998 110.785 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.24 -28.75 68.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 3.1499999999999999 111.395 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.87 -14.27 51.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 2.29 111.08 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.409 ' HA ' HD11 ' A' ' 108' ' ' ILE . 5.4 m-70 -70.52 84.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 3.7400000000000002 110.547 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.44 -42.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 3.7999999999999998 111.472 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.494 ' HH ' ' HE2' ' A' ' 97' ' ' LYS . 43.5 p90 -92.14 -8.23 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 2.6800000000000002 110.774 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.409 HD11 ' HA ' ' A' ' 105' ' ' HIS . 1.2 mp -51.48 117.73 9.86 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 3.0499999999999998 110.906 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.58 174.51 9.64 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.381 2.054 . . . . 3.1099999999999999 112.501 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.26 -0.876 . . . . 7.9400000000000004 110.851 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 N-CA-C 112.523 -0.231 . . . . 14.380000000000001 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.418 ' HG ' ' H ' ' A' ' 3' ' ' HIS . 7.8 t -157.56 -179.34 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 13.41 110.816 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.418 ' H ' ' HG ' ' A' ' 2' ' ' SER . 1.1 t-80 -66.22 -28.5 68.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 13.41 110.855 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.83 150.02 26.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 11.91 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.37 163.05 27.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 7.9199999999999999 111.014 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -68.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 8.2400000000000002 110.923 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.18 -170.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 6.0700000000000003 110.951 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 56.69 82.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 3.8599999999999999 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -128.45 113.64 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 4.9699999999999998 110.938 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -81.72 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 1.9299999999999999 111.002 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.489 ' HE2' ' HB3' ' A' ' 15' ' ' LEU . 3.3 ptm -161.67 128.96 3.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.454 . . . . 1.3600000000000001 110.823 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' HA ' HG21 ' A' ' 76' ' ' THR . . . -51.55 157.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 1.29 111.15 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -27.83 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 1.26 110.685 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.24 -32.64 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 3.2200000000000002 110.473 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.489 ' HB3' ' HE2' ' A' ' 11' ' ' MET . 0.2 OUTLIER -65.73 -37.25 85.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.948 -0.569 . . . . 2.1699999999999999 110.496 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.535 HD21 HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -52.57 108.61 1.13 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.084 -0.507 . . . . 1.53 110.697 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.0 115.14 2.22 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.344 2.03 . . . . 0.53000000000000003 112.204 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.594 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.6 tp -54.55 -49.81 88.95 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.201 -0.454 . . . . 2.23 111.761 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.1 Cg_endo -51.75 -29.19 32.93 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.144 1.896 . . . . 0.93000000000000005 111.973 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -86.21 -34.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.052 -0.522 . . . . 1.26 110.465 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.584 HH12 HG23 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -60.5 -34.39 74.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 4.3099999999999996 110.608 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -25.35 48.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.672 . . . . 1.22 111.521 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.63 -47.82 68.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.407 -0.36 . . . . 2.6499999999999999 110.637 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 HD11 HD22 ' A' ' 95' ' ' LEU . 41.6 tp -75.12 -26.05 58.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 2.1299999999999999 110.65 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.0 m -61.77 -42.62 99.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.92000000000000004 110.361 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.68 88.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.578 . . . . 1.21 110.658 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -59.65 -54.99 39.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.92000000000000004 110.535 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -29.36 68.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.963 -0.562 . . . . 1.6599999999999999 110.983 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -37.42 87.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 1.21 110.845 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.93 78.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 1.3100000000000001 110.971 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -15.51 62.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 1.6899999999999999 110.848 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 54.83 35.08 23.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 2.0299999999999998 111.057 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -107.43 23.66 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 1.3100000000000001 111.144 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 52.0 p-90 -63.89 -36.43 83.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.57999999999999996 110.76 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -63.26 -32.27 73.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 2.8199999999999998 110.829 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -72.11 -32.25 66.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 3.29 111.076 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.33 -52.44 64.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 1.27 110.402 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.9 -60.93 2.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 1.0700000000000001 111.225 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -32.35 71.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 1.22 111.497 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.3 67.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.436 -0.347 . . . . 1.1499999999999999 111.284 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 m -103.66 6.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.384 -0.371 . . . . 1.1699999999999999 111.051 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 101.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.111 -0.495 . . . . 2.6099999999999999 111.12 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt -136.46 161.33 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 1.5800000000000001 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -69.76 139.97 88.87 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 1.6799999999999999 110.602 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -58.78 -20.04 49.64 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.374 2.049 . . . . 1.78 111.952 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.96 -29.29 67.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.494 . . . . 2.0099999999999998 110.454 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -77.87 -38.81 45.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 1.96 110.594 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.2 t -63.98 -43.75 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.5 110.792 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -36.2 78.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 2.4399999999999999 110.684 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -42.18 94.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 2.1200000000000001 110.833 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.2 mt -66.4 -53.55 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 1.1200000000000001 111.247 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -29.11 40.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 1.8100000000000001 111.359 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -68.82 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 1.47 111.166 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.01 -32.21 72.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 2.5 110.986 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -58.79 -30.44 67.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 2.2999999999999998 110.837 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -37.87 82.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 3.7000000000000002 111.104 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -93.32 70.51 4.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 3.4700000000000002 111.144 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.77 74.18 0.12 Allowed Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.661 -0.699 . . . . 2.5499999999999998 113.395 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.05 147.74 29.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 6.0599999999999996 111.095 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.8 t -76.5 111.08 11.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.99 110.93 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.93 -33.1 72.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 1.1200000000000001 111.141 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 m -64.8 -38.0 89.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.97999999999999998 110.872 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -48.1 83.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 2.3199999999999998 110.854 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.16 -42.02 94.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 1.72 110.666 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -57.61 -47.93 80.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.60999999999999999 110.695 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 1.9 mm? -64.64 -28.89 69.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 1.3100000000000001 110.999 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.96 -47.96 78.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 1.8899999999999999 111.627 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.1 mt -79.55 -46.46 22.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.394 -0.366 . . . . 1.2 111.738 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -70.53 -19.73 62.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.69999999999999996 111.068 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -120.66 94.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.69 -0.767 . . . . 1.0800000000000001 112.524 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.12 -10.89 3.87 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.884 -0.674 . . . . 1.54 112.457 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -123.77 -18.45 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 2.5099999999999998 110.816 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -106.75 -9.47 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 1.8400000000000001 111.092 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 55.63 50.54 14.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 3.6400000000000001 110.919 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.47 -160.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 3.3500000000000001 110.959 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.407 HG21 ' HA ' ' A' ' 12' ' ' ALA . 28.8 p -147.01 159.56 43.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.321 -0.4 . . . . 1.5600000000000001 110.983 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.535 HG23 HD21 ' A' ' 16' ' ' LEU . 19.4 t -63.43 -27.94 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 1.8300000000000001 111.171 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.56 -50.73 71.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 2.27 111.039 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.1 m -55.27 -34.28 63.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 1.28 111.366 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.425 HD12 ' NH2' ' A' ' 21' ' ' ARG . 61.8 tp -61.48 -43.6 98.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 1.22 111.109 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.29 -59.24 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.84999999999999998 111.118 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.48 -19.95 62.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 1.24 111.689 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 tp -66.35 -55.59 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 1.8600000000000001 110.993 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -57.6 -28.77 63.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.55000000000000004 111.157 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -37.67 63.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.277 -0.42 . . . . 2.1200000000000001 111.097 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.53 -40.4 82.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 2.7799999999999998 111.114 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.33 -4.42 48.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 2.1800000000000002 111.058 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.87 54.43 8.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.166 -0.47 . . . . 3.4199999999999999 111.041 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 59.5 mt -89.65 82.43 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 1.9399999999999999 111.031 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -54.96 -24.31 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 2.4100000000000001 111.011 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -51.03 8.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 2.0499999999999998 111.1 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . . . -53.57 -40.85 65.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 1.1799999999999999 110.993 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.8 mtm -59.56 -61.94 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.9199999999999999 110.764 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.408 ' HA ' ' HG2' ' A' ' 97' ' ' LYS . 6.3 ptp180 -59.46 -13.67 9.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 3.8900000000000001 111.2 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.444 HD22 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -78.24 -32.74 49.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 1.46 110.9 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.584 HG23 HH12 ' A' ' 21' ' ' ARG . 0.7 OUTLIER -126.31 48.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.376 -0.375 . . . . 1.47 111.305 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 7.4 pttp -98.79 75.69 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 3.27 110.839 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -174.56 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 1.6399999999999999 111.191 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -102.01 0.51 35.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.771 0.32 . . . . 1.46 110.836 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.437 HG13 HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -100.23 -170.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 1.6200000000000001 110.984 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.89 166.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 2.7799999999999998 111.239 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -93.81 -4.84 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 4.2599999999999998 110.818 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -31.58 72.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 3.1499999999999999 111.162 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.41 27.61 0.81 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.386 -0.37 . . . . 2.29 111.339 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -110.69 72.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 3.7400000000000002 109.925 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -33.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 3.7999999999999998 111.329 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -90.88 -7.74 51.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 2.6800000000000002 110.739 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.15 117.58 9.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.888 -0.597 . . . . 3.0499999999999998 110.806 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -82.01 172.78 11.62 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.487 2.125 . . . . 3.1099999999999999 112.525 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.242 -0.885 . . . . 7.9400000000000004 110.911 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.457 -0.257 . . . . 14.380000000000001 112.457 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t 56.26 71.79 0.54 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.815 0.34 . . . . 13.41 110.99 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 m80 55.56 69.09 0.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.074 -0.512 . . . . 13.41 110.896 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.7 tpt -127.17 39.89 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 11.91 110.826 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m 56.69 78.37 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 7.9199999999999999 111.022 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -165.22 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.058 -0.519 . . . . 8.2400000000000002 110.832 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.4 mt -118.61 -45.26 2.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 6.0700000000000003 111.067 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.75 58.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 3.8599999999999999 110.991 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -165.1 152.07 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 4.9699999999999998 110.885 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.76 -179.98 6.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 1.9299999999999999 111.058 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -55.58 132.23 48.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 1.3600000000000001 110.938 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.27 149.15 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 1.29 111.177 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -23.64 29.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.976 -0.556 . . . . 1.26 110.842 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -14.57 4.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 3.2200000000000002 110.865 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.05 -30.24 13.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.44 . . . . 2.1699999999999999 110.189 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.472 HD11 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.89 106.72 0.69 Allowed Pre-proline 0 C--O 1.231 0.113 0 CA-C-N 115.997 -0.547 . . . . 1.53 110.278 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.92 115.77 3.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.543 2.162 . . . . 0.53000000000000003 112.484 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.611 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.1 mt -53.95 -49.8 87.6 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.794 -0.639 . . . . 2.23 111.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 8.0 Cg_endo -49.78 -30.13 22.17 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.231 1.954 . . . . 0.93000000000000005 112.277 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.9 t -86.47 -36.36 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 1.26 110.698 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.472 ' HD2' HD11 ' A' ' 16' ' ' LEU . 2.9 tpt180 -60.14 -27.13 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.929 -0.578 . . . . 4.3099999999999996 110.865 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.14 -24.32 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 1.22 111.308 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.56 -44.87 77.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 2.6499999999999999 111.357 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD21 HD13 ' A' ' 95' ' ' LEU . 2.5 tm? -83.47 -26.65 30.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.436 -0.347 . . . . 2.1299999999999999 111.186 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 m -58.82 -45.82 89.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.954 0.407 . . . . 0.92000000000000004 110.588 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.0 99.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 1.21 110.821 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -58.4 -56.74 18.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.443 -0.799 . . . . 0.92000000000000004 111.127 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 28' ' ' LEU . 2.7 mm? -60.03 -34.62 73.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 1.6599999999999999 110.993 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -64.31 -35.19 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.51 . . . . 1.21 110.859 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.61 76.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 1.3100000000000001 110.999 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.57 -12.12 61.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 1.6899999999999999 110.752 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t0 54.73 43.26 30.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.057 -0.52 . . . . 2.0299999999999998 110.925 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -118.4 22.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 1.3100000000000001 111.265 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -59.84 -37.35 78.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.57999999999999996 110.867 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -35.79 81.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 2.8199999999999998 111.002 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -8.98 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 3.29 111.036 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.98 -58.65 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 1.27 109.996 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -55.21 24.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.574 . . . . 1.0700000000000001 110.927 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 m -61.19 -33.4 73.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.971 -0.559 . . . . 1.22 111.503 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.28 -34.95 64.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.406 -0.361 . . . . 1.1499999999999999 111.383 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.4 m -103.2 4.97 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 1.1699999999999999 110.949 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.93 103.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.867 -0.606 . . . . 2.6099999999999999 111.325 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.43 HD21 ' HH ' ' A' ' 73' ' ' TYR . 7.9 mt -130.97 164.5 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.5800000000000001 110.791 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -69.06 158.06 87.54 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 1.6799999999999999 110.687 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -72.77 -31.24 10.65 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.454 2.103 . . . . 1.78 111.795 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' GLN . 10.4 m-20 -63.63 -28.16 69.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.878 -0.601 . . . . 2.0099999999999998 110.35 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -78.22 -43.92 27.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 1.96 110.558 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.404 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.8 t -63.91 -49.84 80.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 1.5 110.465 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.64 -33.79 73.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 2.4399999999999999 110.318 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -58.02 -42.95 86.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.904 -0.589 . . . . 2.1200000000000001 110.734 179.513 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 48' ' ' VAL . 6.7 mt -68.7 -43.37 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 1.1200000000000001 110.867 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.5 t -54.93 -25.44 29.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 1.8100000000000001 111.298 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -57.51 -69.04 0.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.328 -0.397 . . . . 1.47 110.952 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HB2' ' HG3' ' A' ' 59' ' ' ARG . 3.5 pt20 -63.26 -39.17 93.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 2.5 110.896 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -60.1 -22.99 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 2.2999999999999998 111.119 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -6.62 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 3.7000000000000002 111.598 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.37 73.57 1.25 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.844 0.354 . . . . 3.4700000000000002 111.587 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.85 82.37 0.04 OUTLIER Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.998 -0.546 . . . . 2.5499999999999998 113.313 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.471 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -150.49 139.98 21.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 6.0599999999999996 110.803 179.642 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.456 ' H ' ' HG ' ' A' ' 60' ' ' SER . 2.3 p -69.66 99.88 1.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 1.99 110.951 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.38 80.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 1.1200000000000001 111.295 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -64.86 -35.9 82.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.97999999999999998 111.034 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -52.12 66.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 2.3199999999999998 110.517 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -66.57 -35.29 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.399 . . . . 1.72 110.39 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -57.94 -49.97 74.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 0.60999999999999999 110.901 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.38 -32.96 74.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 1.3100000000000001 110.959 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.57 -17.67 63.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 1.8899999999999999 111.159 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.04 -50.53 9.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.4 -0.364 . . . . 1.2 111.517 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -71.58 -12.36 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.69999999999999996 110.958 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.22 98.33 0.66 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.762 -0.732 . . . . 1.0800000000000001 112.653 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.29 -22.5 3.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 1.54 112.769 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -106.45 -32.76 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.708 0.29 . . . . 2.5099999999999998 111.121 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.43 ' HH ' HD21 ' A' ' 43' ' ' LEU . 91.1 m-85 -99.12 -17.92 17.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.8400000000000001 111.154 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 m120 56.34 53.84 8.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.03 0.443 . . . . 3.6400000000000001 110.613 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -163.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 3.3500000000000001 110.873 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.5 p -141.71 162.95 34.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.338 . . . . 1.5600000000000001 111.006 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.61 -13.81 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 1.8300000000000001 111.283 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.15 -63.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.411 . . . . 2.27 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.8 m -54.22 -30.9 51.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 1.28 111.355 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.57 -47.49 85.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 1.22 110.83 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -61.98 -53.75 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.84999999999999998 110.918 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.67 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 1.24 111.637 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.3 tp -67.03 -50.13 62.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 1.8600000000000001 111.018 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -58.98 -22.98 61.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.55000000000000004 111.558 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.45 -21.41 9.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.509 -0.314 . . . . 2.1200000000000001 111.389 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -58.77 -61.71 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 2.7799999999999998 111.223 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.66 2.79 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 2.1800000000000002 110.887 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm 52.97 66.67 1.16 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 3.4199999999999999 110.105 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mp -88.19 89.21 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 1.9399999999999999 110.899 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -53.48 -48.45 68.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 2.4100000000000001 111.583 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -59.66 -55.87 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 2.0499999999999998 111.38 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.75 -38.03 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 1.1799999999999999 111.387 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 mtm -60.02 -64.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 1.9199999999999999 111.441 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.584 ' HA ' ' HG3' ' A' ' 97' ' ' LYS . 6.2 ptm180 -58.26 -17.99 23.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.271 -0.422 . . . . 3.8900000000000001 111.673 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.533 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -68.72 -32.14 71.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.553 -0.294 . . . . 1.46 111.214 -179.651 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.3 pp -127.69 32.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 1.47 111.437 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.584 ' HG3' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -66.66 -51.68 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.385 . . . . 3.27 110.967 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.99 13.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 1.6399999999999999 111.816 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.489 ' H ' ' C ' ' A' ' 97' ' ' LYS . 43.4 m-85 -113.24 -13.37 12.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.587 0.232 . . . . 1.46 111.428 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.0 m -97.72 -169.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 1.6200000000000001 111.174 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -53.52 157.91 1.97 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.234 -0.439 . . . . 2.7799999999999998 111.355 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -86.53 -5.71 59.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.084 -0.507 . . . . 4.2599999999999998 110.829 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -66.67 -20.45 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 3.1499999999999999 110.912 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.25 -22.48 30.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 2.29 110.822 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.55 83.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.932 0.396 . . . . 3.7400000000000002 110.56 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.39 -41.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 3.7999999999999998 110.794 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.406 ' HH ' ' HD3' ' A' ' 97' ' ' LYS . 49.4 p90 -90.76 -15.35 30.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.05 -0.523 . . . . 2.6800000000000002 110.512 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.49 118.52 11.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.659 -0.7 . . . . 3.0499999999999998 110.897 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.23 146.34 95.95 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.45 2.1 . . . . 3.1099999999999999 112.17 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.3 -0.857 . . . . 7.9400000000000004 110.875 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.475 -0.25 . . . . 14.380000000000001 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -148.5 -49.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 13.41 110.846 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.32 148.24 52.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 13.41 111.027 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.1 tpt 54.18 42.56 31.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 11.91 111.174 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.4 -20.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 7.9199999999999999 110.849 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -127.96 -21.8 3.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 8.2400000000000002 110.944 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.83 -179.43 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 6.0700000000000003 110.783 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.83 169.34 15.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 3.8599999999999999 110.838 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -126.59 33.6 4.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 4.9699999999999998 111.029 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.486 ' HB ' ' HB ' ' A' ' 76' ' ' THR . 0.3 OUTLIER -59.72 141.1 55.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 1.9299999999999999 111.097 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -55.63 122.86 12.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 1.3600000000000001 111.066 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.32 164.39 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.068 -0.514 . . . . 1.29 111.198 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -24.07 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.788 -0.642 . . . . 1.26 110.624 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -31.22 62.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.176 -0.466 . . . . 3.2200000000000002 110.216 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.06 -39.3 50.35 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.839 -0.619 . . . . 2.1699999999999999 109.587 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.97 106.94 0.73 Allowed Pre-proline 0 C--O 1.231 0.103 0 CA-C-N 115.617 -0.72 . . . . 1.53 110.302 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.442 ' HB2' HG22 ' A' ' 20' ' ' VAL . 36.6 Cg_exo -59.92 102.37 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.454 2.103 . . . . 0.53000000000000003 112.198 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.404 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -54.09 -48.38 94.31 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 115.863 -0.608 . . . . 2.23 111.919 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 84.9 Cg_exo -46.82 -33.3 13.8 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.225 1.95 . . . . 0.93000000000000005 112.424 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 17' ' ' PRO . 10.8 t -86.79 -42.75 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 1.26 110.672 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -60.27 -20.34 58.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 4.3099999999999996 110.563 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.89 -23.38 44.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.617 -0.72 . . . . 1.22 111.424 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -67.22 -34.35 77.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 2.6499999999999999 110.381 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 24' ' ' LEU . 42.9 tp -79.37 -34.22 42.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.038 -0.528 . . . . 2.1299999999999999 110.571 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.5 m -60.42 -48.39 81.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.032 0.444 . . . . 0.92000000000000004 110.173 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.12 -38.56 86.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.806 -0.634 . . . . 1.21 110.493 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.17 -54.15 50.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.495 -0.775 . . . . 0.92000000000000004 110.726 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD22 ' HG ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.8 -31.0 69.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.839 -0.618 . . . . 1.6599999999999999 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.41 -28.59 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 1.21 110.991 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.39 69.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.3100000000000001 111.101 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -14.77 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 1.6899999999999999 111.041 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 56.59 66.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 2.0299999999999998 111.025 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 m -135.42 25.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 1.3100000000000001 111.023 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.44 ' HA ' HD13 ' A' ' 37' ' ' LEU . 27.0 p-90 -60.58 -37.67 82.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.04 -0.527 . . . . 0.57999999999999996 110.952 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -31.53 72.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 2.8199999999999998 110.765 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -31.67 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 3.29 110.687 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 34' ' ' TRP . 10.7 mt -62.95 -58.74 6.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 1.27 110.478 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 -57.12 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 1.0700000000000001 111.462 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -60.52 -32.12 71.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 1.22 111.882 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 37' ' ' LEU . . . -55.08 -34.68 63.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.76 0.314 . . . . 1.1499999999999999 111.051 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 83' ' ' LEU . 2.9 m -105.42 2.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 1.1699999999999999 110.688 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.75 97.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.796 -0.638 . . . . 2.6099999999999999 111.209 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 mt -125.16 167.63 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 1.5800000000000001 111.154 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -69.74 160.91 77.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 1.6799999999999999 110.618 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -72.03 -37.05 5.18 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.432 2.088 . . . . 1.78 111.982 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.77 -24.87 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.943 -0.571 . . . . 2.0099999999999998 110.623 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -79.3 -49.98 11.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 1.96 110.723 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.12 -48.94 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.5 110.836 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.63 -37.61 79.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 2.4399999999999999 110.504 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.93 -35.15 68.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.064 -0.516 . . . . 2.1200000000000001 110.653 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -71.38 -37.91 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 1.1200000000000001 110.97 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 t -53.73 -39.05 64.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 1.8100000000000001 111.15 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.0 m -59.74 -62.89 1.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 1.47 110.859 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -62.48 -19.14 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.033 -0.53 . . . . 2.5 111.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -61.81 -61.75 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 2.2999999999999998 111.23 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -60.16 -21.81 62.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.178 -0.464 . . . . 3.7000000000000002 111.387 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.05 86.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.98 0.419 . . . . 3.4700000000000002 111.092 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -176.75 -95.9 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.849 -0.691 . . . . 2.5499999999999998 112.432 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -146.24 -78.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 6.0599999999999996 110.859 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.91 151.78 38.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 1.99 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.04 -51.02 70.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 1.1200000000000001 111.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -32.95 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.97999999999999998 110.842 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -55.61 31.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 2.3199999999999998 110.669 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -64.81 -35.58 81.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 1.72 110.468 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.04 -48.22 80.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.834 -0.621 . . . . 0.60999999999999999 110.846 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.52 -29.5 70.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 1.3100000000000001 110.983 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -63.35 -17.61 62.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 1.8899999999999999 111.254 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.9 mt -108.97 -52.4 6.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 1.2 111.536 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -70.7 -40.89 72.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.453 -0.34 . . . . 0.69999999999999996 110.831 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.64 71.77 1.1 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.884 -0.675 . . . . 1.0800000000000001 112.312 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 174.62 -62.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.84 -0.695 . . . . 1.54 112.276 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -70.74 -20.39 62.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 2.5099999999999998 110.729 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -95.6 -19.67 19.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.006 -0.543 . . . . 1.8400000000000001 110.854 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 57.16 38.16 28.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 3.6400000000000001 110.767 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.36 150.06 35.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 3.3500000000000001 110.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.486 ' HB ' ' HB ' ' A' ' 10' ' ' THR . 5.9 p -89.35 168.16 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 1.5600000000000001 111.065 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.77 -20.4 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 1.8300000000000001 111.07 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -59.48 -57.56 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 2.27 110.99 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 m -54.93 -33.96 62.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.28 111.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.8 tp -60.42 -39.46 87.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 1.22 110.897 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.06 -50.36 72.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.84999999999999998 110.868 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.65 -25.55 67.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 1.24 111.478 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 41' ' ' VAL . 22.0 tp -65.66 -54.07 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 1.8600000000000001 111.05 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -58.32 -28.96 65.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.36 . . . . 0.55000000000000004 111.173 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -38.81 63.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 2.1200000000000001 110.705 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -60.02 -38.86 83.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 2.7799999999999998 110.849 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.52 14.96 15.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.123 -0.489 . . . . 2.1800000000000002 110.936 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt 39.32 45.3 1.17 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.987 -0.551 . . . . 3.4199999999999999 111.643 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.1 mt -90.07 70.94 7.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.111 -0.495 . . . . 1.9399999999999999 110.855 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.42 -33.53 54.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 2.4100000000000001 111.154 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -55.07 12.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 2.0499999999999998 111.174 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.42 35.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 1.1799999999999999 111.5 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.2 mtt -59.71 -61.16 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 1.9199999999999999 111.264 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.543 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 1.4 ptm180 -58.31 -18.26 25.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.28 -0.418 . . . . 3.8900000000000001 111.393 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -30.85 66.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 1.46 111.236 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.2 pt -116.69 7.5 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 1.47 111.486 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.543 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -70.44 -20.55 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 3.27 110.828 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -5.11 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 1.6399999999999999 111.456 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -107.81 -41.13 5.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.553 -0.294 . . . . 1.46 111.233 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.9 m -97.62 163.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 1.6200000000000001 110.858 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.55 ' HA ' HD13 ' A' ' 104' ' ' LEU . 27.6 p 177.34 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.503 -0.317 . . . . 2.7799999999999998 111.608 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -46.87 -52.52 14.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.007 -0.542 . . . . 4.2599999999999998 112.003 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -69.37 -40.7 77.3 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.354 0.501 . . . . 3.1499999999999999 112.354 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.55 HD13 ' HA ' ' A' ' 101' ' ' SER . 0.0 OUTLIER -83.6 -4.3 58.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.943 0.349 . . . . 2.29 111.943 -178.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -63.07 83.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 3.7400000000000002 111.059 -179.515 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.33 -7.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.763 -0.653 . . . . 3.7999999999999998 110.478 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.414 ' HE1' ' HB3' ' A' ' 104' ' ' LEU . 15.5 p90 -151.14 7.57 0.52 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.242 -0.435 . . . . 2.6800000000000002 111.751 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.405 HD13 ' HB2' ' A' ' 104' ' ' LEU . 1.3 mp -59.47 126.65 82.97 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.862 -0.153 . . . . 3.0499999999999998 110.93 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -80.35 160.84 22.85 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.486 2.124 . . . . 3.1099999999999999 112.251 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.232 -0.89 . . . . 7.9400000000000004 110.861 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 112.426 -0.27 . . . . 14.380000000000001 112.426 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.29 37.73 28.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 13.41 110.93 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -111.04 40.35 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 13.41 110.728 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.28 -172.7 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 11.91 110.861 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m 57.41 28.09 14.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 7.9199999999999999 111.002 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.11 126.48 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 8.2400000000000002 110.837 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tp -141.77 78.62 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 6.0700000000000003 110.85 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.8 109.39 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 3.8599999999999999 110.838 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.08 145.4 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 4.9699999999999998 111.056 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.2 p -84.78 -85.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 1.9299999999999999 110.942 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -161.72 134.38 6.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.35 -0.386 . . . . 1.3600000000000001 110.906 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.58 137.71 24.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 1.29 111.231 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.5 ' HA ' HD22 ' A' ' 16' ' ' LEU . 11.8 mt -53.99 -27.41 16.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.744 -0.662 . . . . 1.26 110.965 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.436 ' HD2' ' ND2' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -55.56 -30.42 60.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.338 -0.392 . . . . 3.2200000000000002 110.872 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.83 -28.59 33.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 2.1699999999999999 111.119 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 13' ' ' ILE . 3.5 mm? -52.66 117.72 11.5 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.279 -0.419 . . . . 1.53 110.714 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.55 122.2 10.86 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.563 2.175 . . . . 0.53000000000000003 112.743 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.618 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -74.48 -49.03 5.2 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.889 -0.596 . . . . 2.23 111.65 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.3 Cg_endo -53.34 -26.62 35.69 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.261 1.974 . . . . 0.93000000000000005 112.693 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.0 t -85.85 -46.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 1.26 110.76 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -61.42 -14.39 27.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 4.3099999999999996 110.885 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.0 -31.37 63.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 1.22 111.166 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.94 80.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 2.6499999999999999 110.836 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tt -72.75 -40.62 65.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 2.1299999999999999 110.799 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.7 m -59.97 -45.42 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 0.92000000000000004 110.025 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.16 89.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.72 -0.673 . . . . 1.21 110.64 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -60.4 -54.55 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.568 -0.742 . . . . 0.92000000000000004 110.81 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.83 -32.65 70.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.806 -0.634 . . . . 1.6599999999999999 111.168 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -61.33 -33.13 73.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 1.21 110.965 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.72 79.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 1.3100000000000001 111.107 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.482 ' HB3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -71.24 -12.26 61.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 1.6899999999999999 111.025 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 54.9 34.57 22.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 2.0299999999999998 111.219 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 31' ' ' LEU . 27.7 m -108.36 22.6 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 1.3100000000000001 111.076 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -64.05 -36.74 84.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.57999999999999996 111.089 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.24 -32.56 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 2.8199999999999998 110.791 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.87 -27.74 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 3.29 110.812 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD21 HD23 ' A' ' 83' ' ' LEU . 1.7 mt -65.29 -57.08 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 1.27 110.364 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.18 -55.75 16.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.939 -0.573 . . . . 1.0700000000000001 111.055 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -60.79 -33.8 73.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.966 -0.561 . . . . 1.22 111.501 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.33 -35.12 64.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.38 . . . . 1.1499999999999999 111.378 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -105.76 6.32 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 1.1699999999999999 111.096 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.4 85.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.045 -0.525 . . . . 2.6099999999999999 110.841 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.41 163.93 14.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 1.5800000000000001 111.027 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -69.98 131.0 89.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 1.6799999999999999 110.666 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.3 -21.47 44.34 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.45 2.1 . . . . 1.78 112.199 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -33.41 75.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 2.0099999999999998 110.685 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -77.46 -34.29 54.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 1.96 110.664 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.7 t -63.72 -36.65 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 1.5 111.001 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.36 -46.77 88.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 2.4399999999999999 111.058 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -37.79 78.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 2.1200000000000001 111.286 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.9 -62.62 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.432 -0.349 . . . . 1.1200000000000001 111.115 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -53.18 -28.4 26.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.203 -0.453 . . . . 1.8100000000000001 111.081 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -58.63 -65.82 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 1.47 110.907 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.92 -33.73 74.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 2.5 110.84 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.502 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.7 tmmt? -59.59 -22.15 61.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 2.2999999999999998 111.064 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -5.94 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 3.7000000000000002 111.477 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.03 71.57 1.14 Allowed 'General case' 0 C--O 1.233 0.203 0 N-CA-C 111.636 0.236 . . . . 3.4700000000000002 111.636 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.17 81.09 0.03 OUTLIER Glycine 0 C--N 1.332 0.361 0 CA-C-N 116.15 -0.477 . . . . 2.5499999999999998 113.312 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.66 -7.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.601 0.238 . . . . 6.0599999999999996 111.185 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.497 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . 1.3 m 60.2 107.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.162 -0.472 . . . . 1.99 110.856 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.502 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -60.29 -37.72 81.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 1.1200000000000001 111.505 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.8 m -64.82 -37.02 86.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.97999999999999998 111.038 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.497 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 2.4 t-20 -61.39 -53.88 50.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 2.3199999999999998 110.852 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -64.61 -37.0 86.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.72 110.581 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.77 -48.66 79.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.60999999999999999 110.776 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.98 -36.36 83.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 1.3100000000000001 111.031 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -62.81 -21.89 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 1.8899999999999999 111.414 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.8 mt -97.32 -53.43 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.43 -0.35 . . . . 1.2 111.397 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -71.27 -54.02 12.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.69999999999999996 110.756 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.76 91.41 1.72 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.783 -0.722 . . . . 1.0800000000000001 112.382 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 157.18 -49.27 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.822 -0.704 . . . . 1.54 112.394 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -86.39 -47.32 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 2.5099999999999998 110.682 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -70.14 -20.13 63.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 1.8400000000000001 110.605 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' ND2' ' HD2' ' A' ' 14' ' ' ARG . 9.8 t-20 57.02 53.17 8.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 3.6400000000000001 111.052 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -78.37 177.68 8.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 3.3500000000000001 110.957 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.5 p -98.49 159.35 15.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.799 -0.637 . . . . 1.5600000000000001 111.398 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.94 -32.57 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 1.8300000000000001 111.014 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -59.81 -42.77 94.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.029 -0.532 . . . . 2.27 111.188 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -45.37 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 1.28 111.19 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp -61.78 -40.57 95.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 1.22 111.289 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.93 -58.65 7.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.84999999999999998 111.299 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.36 -23.54 64.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 1.24 111.415 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.412 HD23 HD21 ' A' ' 37' ' ' LEU . 51.0 tp -66.58 -45.7 78.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.8600000000000001 110.973 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -58.64 -35.57 72.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.55000000000000004 111.041 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -53.36 -29.19 33.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 2.1200000000000001 111.302 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -45.41 87.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 2.7799999999999998 110.813 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.465 HD12 HD11 ' A' ' 89' ' ' LEU . 51.9 mt -94.14 3.88 54.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 2.1800000000000002 111.028 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 56.95 48.45 15.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 3.4199999999999999 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.465 HD11 HD12 ' A' ' 87' ' ' LEU . 5.0 mt -90.09 75.69 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.9399999999999999 110.874 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.0 -29.2 42.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 2.4100000000000001 111.082 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -70.38 -53.58 16.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 2.0499999999999998 110.86 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.86 -34.21 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 1.1799999999999999 111.32 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.0 mtm -60.04 -63.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 1.9199999999999999 111.442 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -16.2 10.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.197 -0.456 . . . . 3.8900000000000001 111.653 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -40.57 71.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.743 0.306 . . . . 1.46 110.857 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -126.72 54.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 1.47 111.145 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HD3' ' HH ' ' A' ' 107' ' ' TYR . 0.3 OUTLIER -90.5 -39.77 12.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 3.27 111.069 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.5 3.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 1.6399999999999999 111.401 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.404 ' H ' ' C ' ' A' ' 97' ' ' LYS . 91.7 m-85 -108.9 -10.42 15.09 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.794 0.294 . . . . 1.46 111.794 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.473 ' HB ' HD22 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -99.07 -163.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.671 0.272 . . . . 1.6200000000000001 111.017 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -175.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.192 0.52 . . . . 2.7799999999999998 111.69 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -93.14 -4.58 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 4.2599999999999998 110.851 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.18 -14.98 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 3.1499999999999999 111.272 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.473 HD22 ' HB ' ' A' ' 100' ' ' VAL . 0.6 OUTLIER -85.35 -25.97 26.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 2.29 110.806 179.78 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.435 ' HA ' HD13 ' A' ' 108' ' ' ILE . 10.4 m-70 -68.08 81.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.379 . . . . 3.7400000000000002 110.501 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.34 -42.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 3.7999999999999998 111.182 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.429 ' HH ' ' HD3' ' A' ' 97' ' ' LYS . 43.3 p90 -90.31 -13.45 35.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 2.6800000000000002 110.612 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 105' ' ' HIS . 0.8 OUTLIER -51.54 120.94 16.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 3.0499999999999998 110.752 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.76 155.58 21.8 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.414 2.076 . . . . 3.1099999999999999 112.29 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.264 -0.874 . . . . 7.9400000000000004 110.868 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.477 -0.249 . . . . 14.380000000000001 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.36 89.65 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 13.41 110.868 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -83.89 -61.75 1.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 13.41 110.856 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -76.93 152.15 35.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 11.91 110.794 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.25 -174.76 4.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.291 -0.413 . . . . 7.9199999999999999 111.068 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.39 -157.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 8.2400000000000002 110.698 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.92 161.82 4.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.931 0.396 . . . . 6.0700000000000003 110.976 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.54 -147.7 0.42 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.048 -0.524 . . . . 3.8599999999999999 110.758 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.17 160.68 0.12 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.056 0.455 . . . . 4.9699999999999998 111.113 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -175.18 3.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.967 -0.56 . . . . 1.9299999999999999 111.142 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.24 125.91 23.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 1.3600000000000001 110.948 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.04 145.26 10.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 1.29 111.174 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mt -53.54 -28.1 15.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 1.26 110.758 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -41.03 69.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 3.2200000000000002 110.622 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -38.39 90.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 2.1699999999999999 110.676 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.539 ' HG ' HH11 ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.42 110.69 1.92 Allowed Pre-proline 0 C--O 1.232 0.164 0 CA-C-N 116.144 -0.48 . . . . 1.53 110.825 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.13 123.94 15.06 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.521 2.147 . . . . 0.53000000000000003 112.454 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.437 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -59.31 -47.04 98.97 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.054 -0.521 . . . . 2.23 111.537 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 77.2 Cg_exo -48.37 -32.1 19.24 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.255 1.97 . . . . 0.93000000000000005 112.478 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.9 t -84.92 -33.08 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 1.26 110.624 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.539 HH11 ' HG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -58.12 -36.93 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.984 -0.553 . . . . 4.3099999999999996 110.793 179.454 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.04 46.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 1.22 111.598 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.78 -44.97 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.431 -0.35 . . . . 2.6499999999999999 110.943 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.483 HD12 HD22 ' A' ' 28' ' ' LEU . 2.6 tm? -80.63 -33.36 35.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 2.1299999999999999 110.781 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.1 m -59.27 -43.0 92.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.92000000000000004 110.332 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.99 97.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.883 -0.599 . . . . 1.21 110.733 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -60.44 -52.75 63.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 0.92000000000000004 111.46 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.483 HD22 HD12 ' A' ' 24' ' ' LEU . 4.1 mm? -59.04 -52.65 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 1.6599999999999999 111.391 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.53 ' HB2' ' HG ' ' A' ' 62' ' ' SER . 29.5 t70 -64.75 -20.67 66.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 1.21 111.28 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.44 -35.75 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 1.3100000000000001 110.782 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -0.64 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 1.6899999999999999 110.854 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.12 49.64 11.16 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.055 -0.52 . . . . 2.0299999999999998 110.695 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.96 26.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 1.3100000000000001 111.329 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -58.34 -29.04 65.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.921 0.391 . . . . 0.57999999999999996 110.598 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -62.8 -30.5 71.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.57 . . . . 2.8199999999999998 110.75 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -40.39 71.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.905 -0.589 . . . . 3.29 110.952 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 11.0 mt -56.91 -54.79 42.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 1.27 110.792 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.23 -64.81 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 1.0700000000000001 111.575 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -60.07 -25.54 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.22 112.094 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 37' ' ' LEU . . . -54.0 -36.26 62.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.916 0.388 . . . . 1.1499999999999999 110.719 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -4.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.988 -0.551 . . . . 1.1699999999999999 110.033 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.46 97.68 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.345 -0.843 . . . . 2.6099999999999999 111.546 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.75 163.1 25.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 1.5800000000000001 110.656 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -69.26 137.63 89.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 1.6799999999999999 110.277 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.42 ' HA ' HG22 ' A' ' 48' ' ' VAL . 50.2 Cg_exo -55.79 -13.72 9.17 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.554 2.169 . . . . 1.78 112.509 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.5 -36.81 83.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 2.0099999999999998 110.568 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -78.21 -37.65 44.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 1.96 110.487 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 45' ' ' PRO . 5.2 t -64.12 -33.08 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 1.5 111.028 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.8 -44.92 96.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 2.4399999999999999 110.952 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.95 -31.14 69.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 2.1200000000000001 110.809 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 mt -76.22 -55.17 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 1.1200000000000001 111.284 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.7 p -53.77 -40.25 66.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 1.8100000000000001 111.395 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -64.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 1.47 111.308 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -60.78 -26.86 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 2.5 111.197 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -60.5 -35.54 76.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 2.2999999999999998 110.947 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -30.38 69.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 3.7000000000000002 111.254 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 57' ' ' ARG . 1.6 mtt85 -92.9 70.46 4.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.36 . . . . 3.4700000000000002 110.974 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.82 68.63 0.39 Allowed Glycine 0 C--N 1.331 0.27 0 CA-C-N 115.561 -0.745 . . . . 2.5499999999999998 113.345 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -145.15 160.83 40.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 6.0599999999999996 110.969 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 63' ' ' ASN . 70.2 m -98.3 124.58 43.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 1.99 110.824 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.69 80.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 1.1200000000000001 111.204 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.53 ' HG ' ' HB2' ' A' ' 29' ' ' ASP . 3.1 m -65.3 -36.88 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.97999999999999998 110.898 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.46 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 0.9 OUTLIER -60.6 -52.57 64.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 2.3199999999999998 110.839 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -64.65 -38.38 90.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 1.72 110.523 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -57.6 -46.52 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.60999999999999999 110.738 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.91 -33.94 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 1.3100000000000001 111.325 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -63.44 -32.59 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 1.8899999999999999 111.734 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.0 mt -91.52 -40.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.495 -0.32 . . . . 1.2 111.753 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.7 t90 -71.5 -21.58 61.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.69999999999999996 111.105 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -111.09 72.57 0.21 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.708 -0.758 . . . . 1.0800000000000001 112.469 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.57 -67.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.55 -0.833 . . . . 1.54 112.595 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -71.17 -13.12 61.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.672 0.272 . . . . 2.5099999999999998 111.159 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -111.28 -25.6 9.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 1.8400000000000001 110.91 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 t30 55.6 53.05 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 3.6400000000000001 111.061 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -162.57 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 3.3500000000000001 110.713 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.9 p -142.88 166.76 23.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.824 0.345 . . . . 1.5600000000000001 111.014 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -63.87 -13.7 13.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 1.8300000000000001 111.474 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -60.25 -67.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 2.27 110.821 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 m -55.14 -33.89 63.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 1.28 110.993 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 50.4 tp -60.94 -40.08 91.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 1.22 110.763 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.02 -52.27 63.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.027 -0.533 . . . . 0.84999999999999998 111.106 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -17.29 57.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 1.24 111.903 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 24.9 tp -65.4 -57.13 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.618 -0.265 . . . . 1.8600000000000001 111.012 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -58.39 -28.2 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.55000000000000004 111.066 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.99 -33.33 56.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 2.1200000000000001 111.255 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -58.23 -41.86 85.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 2.7799999999999998 111.148 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.406 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -92.2 -0.26 57.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 2.1800000000000002 111.038 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mttt 55.86 46.19 22.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 3.4199999999999999 110.824 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.406 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 18.0 mt -89.13 83.04 6.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 1.9399999999999999 110.85 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -15.01 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 2.4100000000000001 111.477 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.03 -48.68 8.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 2.0499999999999998 111.05 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.46 71.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 1.1799999999999999 111.638 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.54 ' HG3' ' H ' ' A' ' 94' ' ' ARG . 10.7 ptp -59.83 -58.81 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.511 -0.313 . . . . 1.9199999999999999 111.303 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.54 ' H ' ' HG3' ' A' ' 93' ' ' MET . 5.5 ptp180 -59.16 -15.77 16.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.394 -0.366 . . . . 3.8900000000000001 111.25 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -72.75 -40.9 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 1.46 111.07 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.15 43.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.359 -0.382 . . . . 1.47 111.321 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 94' ' ' ARG . 1.4 ptpt -88.49 -33.0 17.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 3.27 110.829 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.08 2.16 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 1.6399999999999999 111.51 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.29 -8.32 14.36 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.935 0.346 . . . . 1.46 111.935 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.6 -165.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.672 0.272 . . . . 1.6200000000000001 111.054 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.03 144.6 14.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.34 -0.391 . . . . 2.7799999999999998 111.125 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.96 -6.77 51.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 4.2599999999999998 111.011 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -67.21 -18.67 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 3.1499999999999999 110.96 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 mp -85.0 31.98 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 2.29 111.016 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.44 ' HA ' HD12 ' A' ' 108' ' ' ILE . 24.1 m-70 -124.38 79.51 1.75 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 3.7400000000000002 110.526 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.39 -33.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 3.7999999999999998 110.888 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -91.58 -5.7 53.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.786 -0.643 . . . . 2.6800000000000002 110.429 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 105' ' ' HIS . 1.6 mp -51.08 120.02 13.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.585 -0.734 . . . . 3.0499999999999998 111.1 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -86.17 135.53 4.6 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.661 2.241 . . . . 3.1099999999999999 112.477 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.237 -0.887 . . . . 7.9400000000000004 110.875 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.459 -0.257 . . . . 14.380000000000001 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.96 132.26 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.968 0.414 . . . . 13.41 111.087 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.56 179.79 7.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 13.41 110.935 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.9 mtm 56.38 78.41 0.21 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 11.91 111.033 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -104.59 73.44 1.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.091 -0.504 . . . . 7.9199999999999999 110.882 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -165.56 -0.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 8.2400000000000002 110.894 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.3 mt -113.24 -169.7 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 6.0700000000000003 110.842 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.84 129.9 39.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 3.8599999999999999 110.924 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.69 147.25 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 4.9699999999999998 110.86 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.84 -82.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 1.9299999999999999 111.081 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.0 ptm -161.53 120.31 2.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 1.3600000000000001 110.839 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.55 153.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.29 110.754 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.574 ' H ' ' HB2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -51.88 -26.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 1.26 110.903 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -54.16 -39.03 66.17 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.315 -0.402 . . . . 3.2200000000000002 110.477 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -47.24 67.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.522 . . . . 2.1699999999999999 110.033 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HG ' ' NE ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -53.3 112.47 3.66 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.86 -0.609 . . . . 1.53 110.76 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' HD13 ' A' ' 16' ' ' LEU . 75.5 Cg_exo -50.27 111.24 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.31 2.007 . . . . 0.53000000000000003 112.305 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.601 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -53.95 -48.85 92.53 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.039 -0.528 . . . . 2.23 111.734 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.2 Cg_endo -51.96 -26.03 23.76 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.199 1.933 . . . . 0.93000000000000005 112.22 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.57 -41.62 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 1.26 110.477 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.425 ' NE ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -58.41 -33.88 70.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 4.3099999999999996 110.69 179.342 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.85 -28.28 63.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 1.22 111.329 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.95 -47.98 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 2.6499999999999999 110.805 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.82 -41.17 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 2.1299999999999999 110.754 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.7 m -57.86 -40.78 80.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.92000000000000004 110.297 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.17 98.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.851 -0.613 . . . . 1.21 110.779 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -62.44 -60.34 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.663 -0.699 . . . . 0.92000000000000004 111.396 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD21 ' N ' ' A' ' 28' ' ' LEU . 4.0 mm? -58.45 -43.52 88.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.902 -0.59 . . . . 1.6599999999999999 111.606 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.12 -29.72 70.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 1.21 111.199 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.11 -27.8 67.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.38 . . . . 1.3100000000000001 110.876 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.94 0.85 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.525 . . . . 1.6899999999999999 110.935 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.79 48.05 11.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.126 -0.488 . . . . 2.0299999999999998 110.788 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.6 22.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 1.3100000000000001 111.297 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -60.72 -29.21 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.57999999999999996 110.815 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -26.11 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 2.8199999999999998 110.986 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -71.91 -41.4 67.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 3.29 110.935 -179.794 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.63 -55.47 33.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.897 0.38 . . . . 1.27 110.566 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.96 -59.47 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 1.0700000000000001 111.588 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -60.01 -32.33 70.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.13 -0.486 . . . . 1.22 111.717 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.76 -36.27 64.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.514 -0.312 . . . . 1.1499999999999999 111.324 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 m -107.38 8.53 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 1.1699999999999999 111.12 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.87 102.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.085 -0.507 . . . . 2.6099999999999999 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mt -127.19 152.43 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.5800000000000001 111.091 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -69.96 133.05 88.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 1.6799999999999999 110.726 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.64 -29.18 78.5 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.415 2.077 . . . . 1.78 112.227 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -31.27 72.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 2.0099999999999998 110.372 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -77.86 -29.73 50.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 1.96 110.176 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -63.74 -33.33 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 1.5 110.572 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -43.24 99.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.952 -0.567 . . . . 2.4399999999999999 110.786 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.49 -42.88 93.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 2.1200000000000001 110.88 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.57 -51.25 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.021 -0.536 . . . . 1.1200000000000001 111.167 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -54.68 -37.39 65.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 1.8100000000000001 111.401 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -57.61 -56.7 18.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 1.47 111.268 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -61.43 -34.58 75.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 2.5 111.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -26.99 67.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 2.2999999999999998 111.272 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -33.15 69.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 3.7000000000000002 111.348 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -93.17 70.43 4.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.529 -0.305 . . . . 3.4700000000000002 110.963 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 34.31 57.96 0.69 Allowed Glycine 0 C--N 1.332 0.333 0 CA-C-N 115.742 -0.663 . . . . 2.5499999999999998 113.476 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.45 177.61 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 6.0599999999999996 111.152 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.7 p -110.14 123.69 50.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.085 -0.507 . . . . 1.99 110.773 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.98 76.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 1.1200000000000001 111.493 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.4 m -64.58 -29.64 70.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.97999999999999998 111.139 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.88 -59.42 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 2.3199999999999998 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -36.15 83.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 1.72 110.552 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -57.47 -41.96 81.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.60999999999999999 110.493 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -38.44 91.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 1.3100000000000001 110.911 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.472 HD22 HD21 ' A' ' 18' ' ' LEU . 17.6 m-80 -62.98 -58.35 7.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 1.8899999999999999 111.332 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.8 -34.12 61.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 1.2 111.673 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.2 t90 -71.44 -25.77 62.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.771 0.32 . . . . 0.69999999999999996 111.039 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -108.27 88.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 1.0800000000000001 112.432 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 162.94 -22.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.002 -0.618 . . . . 1.54 112.259 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -154.19 16.59 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.856 0.36 . . . . 2.5099999999999998 110.779 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -139.56 31.35 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.8400000000000001 110.905 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.77 88.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.87 -0.605 . . . . 3.6400000000000001 111.433 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.574 ' HB2' ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -76.72 116.83 17.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.589 . . . . 3.3500000000000001 111.144 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.56 122.75 7.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.261 -0.427 . . . . 1.5600000000000001 111.035 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 13.8 t -63.2 -24.16 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 1.8300000000000001 111.154 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -51.45 69.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 2.27 110.645 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.2 m -55.45 -32.95 63.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 1.28 111.228 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 tp -61.74 -48.13 82.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.22 111.198 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.43 -52.66 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.84999999999999998 110.949 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.38 -18.1 57.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 1.24 111.343 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -59.88 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 1.8600000000000001 110.983 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -58.26 -26.43 62.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.463 . . . . 0.55000000000000004 111.143 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -36.69 61.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 2.1200000000000001 111.024 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -58.9 -42.69 90.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 2.7799999999999998 110.993 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.461 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 1.5 mt -92.43 -0.87 57.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 2.1800000000000002 110.849 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mttm 54.52 45.27 27.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 3.4199999999999999 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.461 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 19.6 mt -88.82 80.33 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.9399999999999999 110.96 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -55.01 -24.2 23.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 2.4100000000000001 110.955 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -67.21 -61.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 2.0499999999999998 111.109 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.58 -43.99 69.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.221 -0.445 . . . . 1.1799999999999999 111.359 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.9 mtp -58.91 -51.14 71.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 1.9199999999999999 110.88 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -59.78 -14.61 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 3.8900000000000001 111.325 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.63 -24.92 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.516 -0.311 . . . . 1.46 111.243 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.3 68.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.991 0.425 . . . . 1.47 111.711 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -105.6 -46.68 4.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 3.27 110.746 179.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.48 3.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 1.6399999999999999 111.522 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 97' ' ' LYS . 97.7 m-85 -105.48 -20.72 13.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.569 -0.287 . . . . 1.46 111.257 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.4 m -97.95 -177.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.433 -0.349 . . . . 1.6200000000000001 110.93 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.43 159.74 1.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 2.7799999999999998 111.307 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -77.53 -12.03 59.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 4.2599999999999998 110.742 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -2.3 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 3.1499999999999999 111.0 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -82.83 -7.28 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 2.29 110.999 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 66.9 m170 -74.04 82.81 1.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.358 -0.383 . . . . 3.7400000000000002 110.544 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.11 -33.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 3.7999999999999998 111.29 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -90.02 -22.22 21.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 2.6800000000000002 110.54 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.7 mp -51.9 112.11 2.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.656 -0.702 . . . . 3.0499999999999998 110.916 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.18 152.46 30.88 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.383 2.056 . . . . 3.1099999999999999 112.477 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.166 -0.921 . . . . 7.9400000000000004 110.864 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.522 -0.231 . . . . 14.380000000000001 112.522 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 p -152.52 -28.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.33 . . . . 13.41 110.956 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.62 -178.08 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 13.41 110.833 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.0 ttt -119.7 139.06 52.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 11.91 110.776 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.17 179.16 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.134 -0.484 . . . . 7.9199999999999999 111.142 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -109.27 125.34 52.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 8.2400000000000002 110.877 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.32 -60.14 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 6.0700000000000003 110.821 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.09 88.5 4.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 3.8599999999999999 110.852 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.01 126.01 53.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 4.9699999999999998 110.854 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p -123.85 -102.46 0.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 1.9299999999999999 111.122 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.94 136.1 6.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.705 0.288 . . . . 1.3600000000000001 110.901 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.96 150.52 5.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 1.29 111.1 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -28.01 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 1.26 110.809 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -55.84 -29.45 59.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.237 -0.438 . . . . 3.2200000000000002 110.737 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -34.68 67.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 2.1699999999999999 110.765 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.545 ' HB3' HH11 ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.01 109.34 1.32 Allowed Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.057 -0.52 . . . . 1.53 110.724 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -51.2 122.9 10.86 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.53 2.153 . . . . 0.53000000000000003 112.486 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.588 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -59.09 -50.86 85.61 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.161 -0.472 . . . . 2.23 111.645 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.7 Cg_endo -52.01 -26.81 26.49 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.215 1.943 . . . . 0.93000000000000005 112.102 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.49 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 80.8 t -85.9 -40.23 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.032 -0.531 . . . . 1.26 110.528 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.545 HH11 ' HB3' ' A' ' 16' ' ' LEU . 3.4 ttp180 -61.51 -28.92 69.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.103 -0.499 . . . . 4.3099999999999996 110.971 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.41 -37.84 73.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.75 -0.659 . . . . 1.22 112.691 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 6.0 pt20 -66.84 -34.47 77.87 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.959 -0.296 . . . . 2.6499999999999999 111.265 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' N ' ' HG3' ' A' ' 23' ' ' GLN . 39.1 tp -78.06 -38.27 44.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 2.1299999999999999 110.784 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 80.2 m -59.51 -52.28 66.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.334 -0.394 . . . . 0.92000000000000004 110.255 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -30.21 70.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.21 110.491 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -61.27 -64.63 0.89 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.993 -0.548 . . . . 0.92000000000000004 110.817 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.62 -39.62 81.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 1.6599999999999999 110.793 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.0 -24.35 67.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 1.21 110.971 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.45 -31.91 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.984 0.421 . . . . 1.3100000000000001 110.479 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.58 1.91 7.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 1.6899999999999999 110.674 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t0 58.53 45.57 16.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.053 -0.521 . . . . 2.0299999999999998 110.569 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' A' ' 36' ' ' GLN . 28.2 m -134.14 32.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 1.3100000000000001 111.32 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -63.1 -37.86 88.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.57999999999999996 110.517 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -23.78 67.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.961 -0.563 . . . . 2.8199999999999998 110.822 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -71.41 -40.82 70.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 3.29 111.031 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.18 -54.88 40.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 1.27 110.672 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.92 -59.8 3.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.51 . . . . 1.0700000000000001 111.374 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 m -60.32 -33.18 72.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 1.22 111.615 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.16 65.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 1.1499999999999999 111.151 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 m -104.73 3.64 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 1.1699999999999999 110.828 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.42 101.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.909 -0.587 . . . . 2.6099999999999999 111.043 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mt -128.3 154.51 45.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 1.5800000000000001 110.917 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -69.38 134.35 88.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.6799999999999999 110.399 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.34 -18.75 25.68 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.418 2.079 . . . . 1.78 112.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -71.88 -31.79 66.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.421 . . . . 2.0099999999999998 110.714 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -78.41 -33.11 48.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 1.96 110.747 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.36 -31.81 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 1.5 111.065 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.94 -46.19 90.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 2.4399999999999999 110.883 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -59.27 -26.82 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 2.1200000000000001 111.204 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.2 mt -79.0 -62.44 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.407 . . . . 1.1200000000000001 111.303 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.3 p -55.17 -12.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 1.8100000000000001 111.747 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -56.85 -69.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.669 0.271 . . . . 1.47 111.147 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -62.85 -26.02 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 2.5 111.161 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.529 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 2.6 ttpt -60.16 -12.41 8.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 2.2999999999999998 111.388 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.506 HE21 ' HD2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -61.51 -6.84 2.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.404 -0.362 . . . . 3.7000000000000002 111.555 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.506 ' HD2' HE21 ' A' ' 56' ' ' GLN . 10.6 ptm180 -148.91 71.83 1.15 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.74 0.305 . . . . 3.4700000000000002 111.282 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 43.21 79.09 0.06 OUTLIER Glycine 0 C--N 1.332 0.355 0 CA-C-N 116.026 -0.534 . . . . 2.5499999999999998 113.184 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.529 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -137.26 143.57 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 6.0599999999999996 111.015 179.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.5 t -65.98 100.61 0.59 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.167 -0.469 . . . . 1.99 111.051 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.12 92.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.01 -0.541 . . . . 1.1200000000000001 111.308 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.8 m -64.01 -26.05 68.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.97999999999999998 111.01 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -61.09 -52.49 64.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 2.3199999999999998 110.546 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -40.72 92.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 1.72 110.591 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.95 -43.21 81.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 0.60999999999999999 110.68 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -34.7 78.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 1.3100000000000001 110.824 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -63.42 -55.25 25.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 1.8899999999999999 111.48 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.88 -45.43 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 1.2 111.628 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -71.6 -14.8 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.69999999999999996 111.013 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.71 96.58 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.685 -0.769 . . . . 1.0800000000000001 112.641 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.41 -44.16 1.25 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.779 -0.724 . . . . 1.54 112.281 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -73.34 -27.18 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 2.5099999999999998 110.742 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -113.06 -11.74 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 1.8400000000000001 110.944 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 57.84 55.13 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 3.6400000000000001 110.955 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -162.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 3.3500000000000001 110.806 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.93 163.98 34.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 1.5600000000000001 111.187 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.69 -19.18 22.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 1.8300000000000001 111.402 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -58.55 -63.08 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 2.27 110.777 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -55.36 -34.54 64.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 1.28 111.245 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 48.4 tp -61.05 -44.16 97.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.435 . . . . 1.22 110.776 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -62.11 -57.34 11.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.84999999999999998 110.82 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.94 -17.26 61.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.989 -0.551 . . . . 1.24 111.755 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 16.5 tp -65.49 -52.53 52.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 1.8600000000000001 110.966 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -58.6 -32.35 68.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.55000000000000004 111.167 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -53.62 -27.32 26.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 2.1200000000000001 111.18 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -57.57 -52.73 64.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 2.7799999999999998 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.34 3.07 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 2.1800000000000002 110.836 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt 58.55 52.73 6.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.997 -0.547 . . . . 3.4199999999999999 111.036 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.8 mt -90.64 73.6 6.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 1.9399999999999999 111.024 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -54.4 -27.87 39.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 2.4100000000000001 111.148 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -66.21 -60.13 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 2.0499999999999998 111.08 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.48 -34.76 59.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.074 -0.512 . . . . 1.1799999999999999 111.459 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.9 mtp -59.01 -53.09 62.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 1.9199999999999999 111.172 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -56.95 -28.37 62.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 3.8900000000000001 111.465 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -35.73 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 1.46 111.194 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.436 HG23 HD22 ' A' ' 24' ' ' LEU . 4.7 pt -120.25 31.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 1.47 111.266 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 51.65 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.969 0.414 . . . . 3.27 110.86 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.1 11.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.947 -0.57 . . . . 1.6399999999999999 111.521 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -114.91 -5.98 12.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.046 0.451 . . . . 1.46 110.468 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.3 -170.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.797 -0.638 . . . . 1.6200000000000001 111.061 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.52 164.84 0.65 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 2.7799999999999998 111.184 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -93.44 -5.09 50.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 4.2599999999999998 110.833 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -27.35 66.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.53 . . . . 3.1499999999999999 111.3 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.58 -6.3 59.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.444 -0.344 . . . . 2.29 111.215 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.458 ' HA ' HD12 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -77.77 83.18 4.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 3.7400000000000002 110.517 179.579 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.4 -40.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 3.7999999999999998 111.319 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -91.65 0.05 57.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 2.6800000000000002 110.386 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 105' ' ' HIS . 1.6 mp -51.16 124.05 21.43 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.727 -0.669 . . . . 3.0499999999999998 110.849 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.41 146.7 81.19 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.374 2.049 . . . . 3.1099999999999999 112.471 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.204 -0.903 . . . . 7.9400000000000004 110.986 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 112.463 -0.255 . . . . 14.380000000000001 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -72.18 -21.24 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 13.41 110.966 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -63.46 155.26 29.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 13.41 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -148.23 105.18 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 11.91 110.78 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.9 -26.15 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 7.9199999999999999 111.002 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 m170 56.12 82.64 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 8.2400000000000002 110.874 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.32 -45.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 6.0700000000000003 110.976 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -124.99 121.68 35.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.477 . . . . 3.8599999999999999 110.982 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -129.91 106.02 8.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 4.9699999999999998 110.877 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.4 p -124.78 -131.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 1.9299999999999999 110.94 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 ptm -161.41 130.19 4.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 1.3600000000000001 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HA ' HG23 ' A' ' 76' ' ' THR . . . -51.02 149.11 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 1.29 111.501 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -56.76 -22.04 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.588 -0.733 . . . . 1.26 110.938 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -56.72 -10.65 1.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.337 -0.392 . . . . 3.2200000000000002 111.395 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 tt -103.53 -30.97 10.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.782 -0.451 . . . . 2.1699999999999999 109.782 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 HD12 ' HD3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -51.14 104.82 0.45 Allowed Pre-proline 0 C--O 1.231 0.121 0 CA-C-N 115.828 -0.624 . . . . 1.53 110.438 179.418 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -67.09 135.26 36.78 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.813 2.342 . . . . 0.53000000000000003 112.466 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.603 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.1 tp -59.22 -49.42 92.97 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.846 -0.616 . . . . 2.23 112.147 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.4 Cg_endo -52.64 -29.78 42.81 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.106 1.871 . . . . 0.93000000000000005 112.698 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 t -87.18 -41.79 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 1.26 111.13 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' HD3' HD12 ' A' ' 16' ' ' LEU . 13.9 ttp180 -60.08 -35.92 76.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 4.3099999999999996 111.163 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.31 -22.99 45.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 1.22 111.425 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.77 -33.43 74.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 2.6499999999999999 110.742 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.504 ' HG ' HD21 ' A' ' 28' ' ' LEU . 58.6 tp -91.21 -28.76 17.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 2.1299999999999999 110.832 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m -61.48 -39.19 90.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.978 0.418 . . . . 0.92000000000000004 110.306 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -46.28 91.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 1.21 110.662 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.55 -49.0 79.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.65 -0.704 . . . . 0.92000000000000004 110.887 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.504 HD21 ' HG ' ' A' ' 24' ' ' LEU . 4.1 mm? -58.61 -46.05 87.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 1.6599999999999999 111.411 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.408 ' HB2' ' OG ' ' A' ' 62' ' ' SER . 14.3 t70 -73.21 -19.43 61.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 1.21 111.167 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.54 78.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 1.3100000000000001 110.773 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.98 -3.52 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 1.6899999999999999 110.897 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 56.33 51.09 12.05 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.495 . . . . 2.0299999999999998 110.685 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.56 31.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.938 -0.574 . . . . 1.3100000000000001 111.375 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -57.83 -31.21 66.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.57999999999999996 110.76 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -28.86 70.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 2.8199999999999998 110.897 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.408 HE21 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.94 -42.53 66.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 3.29 110.934 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' N ' HE21 ' A' ' 36' ' ' GLN . 1.7 mt -58.03 -56.97 15.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.913 0.387 . . . . 1.27 110.599 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.76 -58.28 6.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.926 -0.579 . . . . 1.0700000000000001 111.597 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 m -59.65 -31.7 69.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.092 -0.504 . . . . 1.22 111.724 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.51 -36.89 67.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 1.1499999999999999 111.447 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.6 m -105.52 9.66 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.533 -0.303 . . . . 1.1699999999999999 111.226 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.99 96.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 2.6099999999999999 111.104 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mt -115.6 147.33 40.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 1.5800000000000001 111.084 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.473 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 92.3 m-85 -69.75 160.35 80.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 1.6799999999999999 110.634 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 44' ' ' TYR . 32.3 Cg_endo -61.13 -37.85 71.78 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.55 2.167 . . . . 1.78 111.925 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -27.84 69.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 2.0099999999999998 110.189 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -78.78 -42.29 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.882 -0.599 . . . . 1.96 110.581 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.0 t -63.47 -49.19 83.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.5 110.814 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.94 -37.95 84.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 2.4399999999999999 110.464 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -59.5 -43.25 93.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.9 -0.591 . . . . 2.1200000000000001 110.942 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.88 -47.3 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 1.1200000000000001 111.236 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -53.65 -38.19 63.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 1.8100000000000001 111.292 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.18 -60.1 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 1.47 111.138 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -33.68 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 2.5 111.228 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.43 -40.16 85.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.353 -0.385 . . . . 2.2999999999999998 111.123 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -24.11 65.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 3.7000000000000002 111.238 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -92.44 70.36 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.371 . . . . 3.4700000000000002 110.931 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 35.6 48.23 0.93 Allowed Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.533 -0.758 . . . . 2.5499999999999998 113.558 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -135.3 160.89 36.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 6.0599999999999996 111.074 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.3 130.89 36.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 1.99 110.864 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.12 -36.04 78.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 1.1200000000000001 111.163 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.408 ' OG ' ' HB2' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -64.56 -34.24 77.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.97999999999999998 110.824 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -51.01 71.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 2.3199999999999998 110.641 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -39.33 91.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 1.72 110.445 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.45 -48.69 78.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.953 -0.567 . . . . 0.60999999999999999 110.894 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.66 -29.94 71.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 1.3100000000000001 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -63.9 -62.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 1.8899999999999999 111.51 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.69 -46.57 94.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 1.2 111.774 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -70.87 -18.4 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.69999999999999996 111.094 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.11 88.15 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.569 -0.824 . . . . 1.0800000000000001 112.597 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.8 -41.17 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 1.54 112.612 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -111.75 -29.09 7.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 2.5099999999999998 110.958 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.62 -14.89 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 1.8400000000000001 110.845 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 54.53 44.21 29.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 3.6400000000000001 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.82 -168.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 3.3500000000000001 111.023 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.411 HG23 ' HA ' ' A' ' 12' ' ' ALA . 53.7 p -142.82 165.62 26.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.407 -0.36 . . . . 1.5600000000000001 110.786 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 m -62.56 -19.73 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 1.8300000000000001 111.409 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.55 -54.06 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 2.27 110.795 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.47 -37.6 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 1.28 111.246 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.95 -45.06 96.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 1.22 110.808 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -61.0 -46.54 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.84999999999999998 110.792 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.31 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 1.24 111.113 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.7 -52.91 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 1.8600000000000001 110.895 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -58.22 -28.51 64.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.55000000000000004 111.424 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -53.97 -29.57 43.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.721 0.296 . . . . 2.1200000000000001 111.006 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -59.31 -54.59 45.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 2.7799999999999998 111.169 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.58 -3.5 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 2.1800000000000002 111.16 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 51.89 67.93 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 3.4199999999999999 110.456 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 89' ' ' LEU . 4.3 mp -90.28 85.26 6.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 1.9399999999999999 111.231 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -37.42 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 2.4100000000000001 111.488 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -71.21 -59.46 2.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.425 . . . . 2.0499999999999998 111.783 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.35 -32.98 40.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.4 . . . . 1.1799999999999999 111.731 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 29.2 mtt -59.63 -47.33 86.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.391 -0.368 . . . . 1.9199999999999999 111.383 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.538 ' HA ' ' HG3' ' A' ' 97' ' ' LYS . 34.3 mtp180 -57.85 -27.95 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 3.8900000000000001 111.649 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -31.65 71.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.478 -0.328 . . . . 1.46 111.463 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.02 56.68 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 1.47 111.352 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.538 ' HG3' ' HA ' ' A' ' 94' ' ' ARG . 6.3 mmtp -96.73 -44.88 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 3.27 110.737 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.5 1.2 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.6399999999999999 111.362 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -106.53 -20.15 13.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.547 -0.297 . . . . 1.46 111.42 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m -97.35 -179.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.774 0.321 . . . . 1.6200000000000001 110.923 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.2 m -53.84 145.84 15.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 2.7799999999999998 111.134 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -81.56 -9.4 59.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 4.2599999999999998 110.696 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -12.92 61.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 3.1499999999999999 110.845 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mt -83.86 -18.49 37.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 2.29 110.79 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -67.58 83.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 3.7400000000000002 110.632 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.13 -42.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 3.7999999999999998 110.938 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -90.8 -10.61 42.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 2.6800000000000002 110.38 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.3 mp -51.09 122.03 16.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.739 -0.664 . . . . 3.0499999999999998 110.926 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.25 175.56 11.18 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.4 2.067 . . . . 3.1099999999999999 112.415 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.264 -0.874 . . . . 7.9400000000000004 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 N-CA-C 112.574 -0.21 . . . . 14.380000000000001 112.574 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -42.81 24.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 13.41 111.021 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 57.08 69.2 0.76 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.503 . . . . 13.41 111.023 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.1 mtp -85.21 146.82 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 11.91 110.86 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.94 128.95 5.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 7.9199999999999999 110.95 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.09 -170.17 0.13 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.085 -0.507 . . . . 8.2400000000000002 111.185 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mt 58.39 45.4 16.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.954 -0.566 . . . . 6.0700000000000003 111.187 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.06 78.63 6.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 3.8599999999999999 110.786 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -108.46 118.75 37.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 4.9699999999999998 111.062 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.437 ' HB ' ' H ' ' A' ' 11' ' ' MET . 2.6 m -146.71 -90.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 1.9299999999999999 110.899 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.437 ' H ' ' HB ' ' A' ' 10' ' ' THR . 10.6 ptm -161.97 125.23 3.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.369 . . . . 1.3600000000000001 111.046 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.9 146.47 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 1.29 111.271 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.65 -23.57 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 1.26 110.523 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -27.19 39.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.957 -0.565 . . . . 3.2200000000000002 110.681 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.51 -33.14 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 2.1699999999999999 110.32 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.46 105.13 0.48 Allowed Pre-proline 0 C--N 1.333 -0.119 0 CA-C-N 116.021 -0.536 . . . . 1.53 110.596 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HB2' HG22 ' A' ' 20' ' ' VAL . 36.3 Cg_exo -61.61 126.8 19.94 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.436 2.091 . . . . 0.53000000000000003 112.421 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.638 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -57.13 -48.07 98.02 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.825 -0.625 . . . . 2.23 112.058 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 2.8 Cg_endo -45.61 -27.85 3.92 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.5 2.133 . . . . 0.93000000000000005 112.543 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 17' ' ' PRO . 3.1 t -85.73 -43.68 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 1.26 110.766 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -59.65 -29.44 68.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 4.3099999999999996 110.633 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.3 -33.47 69.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 1.22 111.665 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -67.22 -42.12 84.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.392 -0.367 . . . . 2.6499999999999999 111.175 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' HG ' HD23 ' A' ' 28' ' ' LEU . 31.1 tp -77.24 -33.87 55.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.297 -0.41 . . . . 2.1299999999999999 111.206 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.4 m -61.3 -44.9 96.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.423 . . . . 0.92000000000000004 110.207 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.84 97.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.672 -0.695 . . . . 1.21 110.582 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -59.58 -49.51 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.559 -0.746 . . . . 0.92000000000000004 110.998 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 HD21 ' N ' ' A' ' 28' ' ' LEU . 4.5 mm? -59.27 -32.22 69.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 1.6599999999999999 111.106 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.48 -33.14 73.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 1.21 110.907 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.61 -37.33 79.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 1.3100000000000001 110.97 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' HG23 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -71.8 -14.94 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 1.6899999999999999 110.998 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.63 58.71 4.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 2.0299999999999998 111.139 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 31' ' ' LEU . 12.9 m -138.08 32.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 1.3100000000000001 111.267 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -67.64 -35.05 78.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.371 -0.377 . . . . 0.57999999999999996 110.896 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -39.08 93.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 2.8199999999999998 110.914 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -72.28 -35.45 68.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 3.29 110.938 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 16.5 mt -59.58 -54.52 45.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.999 0.428 . . . . 1.27 110.13 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.46 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.846 -0.615 . . . . 1.0700000000000001 111.456 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -59.27 -23.66 62.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.03 -0.532 . . . . 1.22 112.118 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 37' ' ' LEU . . . -52.72 -32.91 45.43 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.832 0.349 . . . . 1.1499999999999999 110.731 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 m -106.12 -5.94 10.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 1.1699999999999999 110.268 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.48 100.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.581 -0.736 . . . . 2.6099999999999999 111.597 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.4 178.32 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 1.5800000000000001 110.919 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -69.41 161.81 71.02 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 1.6799999999999999 110.591 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.35 -29.73 13.55 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.415 2.076 . . . . 1.78 111.84 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -64.08 -23.51 67.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 2.0099999999999998 110.617 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.92 -51.23 10.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.527 . . . . 1.96 110.512 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.2 t -63.48 -44.79 98.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 1.5 110.737 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -45.41 94.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 2.4399999999999999 110.707 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -58.83 -37.94 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 2.1200000000000001 111.088 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.5 mt -68.96 -57.31 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 1.1200000000000001 111.203 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -53.39 -35.61 60.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.417 . . . . 1.8100000000000001 111.057 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.6 t -58.37 -59.13 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 1.47 111.095 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HB3' ' HD2' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -61.43 -33.56 73.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 2.5 111.232 -179.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 57' ' ' ARG . 2.2 ttpt -60.58 -26.34 66.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 2.2999999999999998 111.429 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.99 3.3 0.41 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.503 -0.317 . . . . 3.7000000000000002 111.744 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -138.57 71.69 1.39 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.688 0.28 . . . . 3.4700000000000002 110.938 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.5 72.12 0.32 Allowed Glycine 0 C--N 1.333 0.416 0 CA-C-N 116.045 -0.525 . . . . 2.5499999999999998 113.025 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HD2' ' HB3' ' A' ' 54' ' ' GLN . 5.5 mtm-85 -148.3 153.56 38.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 6.0599999999999996 111.044 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -90.76 121.72 32.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.549 . . . . 1.99 110.787 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.66 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 1.1200000000000001 111.124 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -35.99 82.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.97999999999999998 110.796 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -52.86 63.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.464 . . . . 2.3199999999999998 110.696 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.57 -38.93 92.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.72 110.639 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -57.81 -45.56 85.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.942 -0.572 . . . . 0.60999999999999999 111.041 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.16 -33.19 75.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 1.3100000000000001 111.111 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.24 -38.34 90.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 1.8899999999999999 111.644 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.8 mt -87.0 -50.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.321 . . . . 1.2 111.774 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -70.19 -53.29 17.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.394 -0.366 . . . . 0.69999999999999996 111.026 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.76 72.79 1.42 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.705 -0.759 . . . . 1.0800000000000001 112.477 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.52 -76.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 1.54 112.563 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.07 -27.98 66.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.789 0.328 . . . . 2.5099999999999998 110.97 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -81.52 -28.75 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 1.8400000000000001 110.914 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 t30 54.53 54.78 8.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.128 -0.487 . . . . 3.6400000000000001 110.839 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -178.73 5.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 3.3500000000000001 111.205 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.44 148.53 21.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.548 . . . . 1.5600000000000001 111.375 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.6 m -64.75 -27.15 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 1.8300000000000001 110.997 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -59.4 -42.71 92.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 2.27 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -54.87 -34.76 63.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 1.28 111.056 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.95 -45.65 93.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.538 . . . . 1.22 110.966 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.402 ' HB2' HG11 ' A' ' 100' ' ' VAL . 8.9 t80 -62.22 -57.55 11.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.84999999999999998 111.133 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.22 -16.93 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 1.24 111.653 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.402 HD23 HD21 ' A' ' 37' ' ' LEU . 13.8 tp -66.48 -59.46 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.518 -0.31 . . . . 1.8600000000000001 110.978 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -58.28 -22.15 51.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.55000000000000004 111.455 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -37.89 62.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.342 -0.39 . . . . 2.1200000000000001 110.896 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -59.02 -39.18 81.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 2.7799999999999998 110.974 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.461 HD13 HD13 ' A' ' 89' ' ' LEU . 9.1 mt -93.17 -1.87 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 2.1800000000000002 111.037 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt 57.12 40.09 28.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 3.4199999999999999 111.069 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.461 HD13 HD13 ' A' ' 87' ' ' LEU . 83.4 mt -89.26 72.72 8.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 1.9399999999999999 110.891 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -53.26 -33.97 55.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 2.4100000000000001 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -60.45 -56.53 20.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 2.0499999999999998 110.885 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.12 -40.58 64.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.081 -0.509 . . . . 1.1799999999999999 111.268 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -48.22 82.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 1.9199999999999999 110.99 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -21.31 59.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 3.8900000000000001 111.533 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -65.29 -26.91 68.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.512 -0.313 . . . . 1.46 111.508 -179.417 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 1.5 pt -108.95 -103.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.769 -0.196 . . . . 1.47 110.581 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.431 ' HZ2' ' HB3' ' A' ' 104' ' ' LEU . 4.5 mtpt 72.8 -51.77 0.71 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.168 0.432 . . . . 3.27 112.168 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -0.44 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.713 0.264 . . . . 1.6399999999999999 111.713 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -111.37 -15.38 13.59 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.68 0.252 . . . . 1.46 111.68 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.402 HG11 ' HB2' ' A' ' 81' ' ' PHE . 1.4 m -97.34 -169.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 1.6200000000000001 111.092 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.2 m -54.1 156.86 2.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.174 -0.466 . . . . 2.7799999999999998 111.042 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -5.36 59.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 4.2599999999999998 110.838 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -14.22 62.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.143 -0.48 . . . . 3.1499999999999999 111.072 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.431 ' HB3' ' HZ2' ' A' ' 97' ' ' LYS . 1.2 mp -84.15 -25.72 29.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.475 . . . . 2.29 110.861 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.403 ' HA ' HD13 ' A' ' 108' ' ' ILE . 1.7 m-70 -69.18 81.0 0.34 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 3.7400000000000002 110.621 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.69 1.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 3.7999999999999998 111.095 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -151.72 12.2 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.514 -0.312 . . . . 2.6800000000000002 111.5 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.8 mp -61.16 114.19 9.97 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.487 -0.324 . . . . 3.0499999999999998 110.796 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -83.01 101.21 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.421 2.08 . . . . 3.1099999999999999 112.432 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.183 -0.913 . . . . 7.9400000000000004 110.949 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.511 -0.236 . . . . 14.380000000000001 112.511 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -160.44 78.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.729 0.3 . . . . 13.41 110.88 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 m80 57.34 23.04 8.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.196 -0.457 . . . . 13.41 111.097 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.69 94.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 11.91 110.751 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 p -132.89 -5.82 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 7.9199999999999999 110.892 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 56.64 86.66 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.147 -0.479 . . . . 8.2400000000000002 111.034 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mt -93.2 -173.34 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 6.0700000000000003 110.951 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -81.3 67.23 7.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 3.8599999999999999 110.855 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -101.21 87.7 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 4.9699999999999998 110.923 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.7 m -136.57 -108.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 1.9299999999999999 110.856 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.77 122.06 2.6 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 1.3600000000000001 110.916 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 151.66 3.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 1.29 111.166 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.418 HD11 ' HB3' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -57.28 -26.7 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.786 -0.643 . . . . 1.26 110.877 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -55.02 -34.34 63.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 3.2200000000000002 111.051 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -73.61 -36.51 65.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 2.1699999999999999 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.485 HD23 HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -52.43 112.13 3.13 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 1.53 110.957 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.24 122.1 8.76 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.435 2.09 . . . . 0.53000000000000003 112.434 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.608 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -56.69 -49.08 95.77 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.122 -0.49 . . . . 2.23 111.724 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.0 Cg_endo -52.23 -26.01 25.44 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.169 1.912 . . . . 0.93000000000000005 112.389 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.1 t -86.09 -41.42 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 1.26 110.679 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.47 HH11 HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.56 -35.98 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 4.3099999999999996 110.952 179.652 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -21.48 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.891 -0.595 . . . . 1.22 111.514 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -59.8 3.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 2.6499999999999999 110.688 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.566 ' HG ' HD21 ' A' ' 28' ' ' LEU . 50.7 tp -66.89 -30.76 71.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.518 . . . . 2.1299999999999999 110.735 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.7 m -61.71 -40.59 95.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.92000000000000004 110.31 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.32 90.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.813 -0.63 . . . . 1.21 110.759 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -59.97 -48.98 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.796 -0.638 . . . . 0.92000000000000004 111.067 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.566 HD21 ' HG ' ' A' ' 24' ' ' LEU . 4.4 mm? -60.09 -51.48 69.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 1.6599999999999999 111.621 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -62.14 -23.28 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 1.21 111.084 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.94 -32.79 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 1.3100000000000001 110.698 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.51 1.49 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.894 -0.594 . . . . 1.6899999999999999 110.933 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t0 58.45 46.56 14.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.072 -0.513 . . . . 2.0299999999999998 110.803 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.76 64.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 1.3100000000000001 111.178 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -86.73 -37.86 17.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.57999999999999996 110.782 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.08 -27.52 69.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 2.8199999999999998 110.923 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -37.83 71.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 3.29 110.939 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.78 -61.39 2.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.807 0.336 . . . . 1.27 110.64 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.97 -55.15 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 1.0700000000000001 111.631 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.7 m -60.47 -31.29 70.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.176 -0.465 . . . . 1.22 111.748 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.28 -33.72 63.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.666 0.269 . . . . 1.1499999999999999 111.311 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.64 6.32 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.792 0.33 . . . . 1.1699999999999999 111.191 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.55 102.67 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.039 -0.528 . . . . 2.6099999999999999 111.082 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mt -123.39 164.6 18.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 1.5800000000000001 111.109 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.475 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 21.7 m-85 -69.36 136.16 88.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 1.6799999999999999 110.544 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.46 -10.15 12.84 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.546 2.164 . . . . 1.78 112.414 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -86.49 -32.53 20.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.424 -0.353 . . . . 2.0099999999999998 110.724 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.475 ' HG3' ' HB2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -77.76 -39.47 44.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 1.96 110.5 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.8 t -63.76 -45.67 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 1.5 110.907 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.48 -38.73 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 2.4399999999999999 110.944 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -33.34 71.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 2.1200000000000001 111.135 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.9 mt -74.23 -48.9 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 1.1200000000000001 111.293 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 p -53.33 -30.89 41.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 1.8100000000000001 111.263 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -68.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 1.47 111.108 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -61.41 -32.76 72.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 2.5 111.265 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HG3' ' HB3' ' A' ' 61' ' ' ALA . 8.7 ttpt -59.12 -35.32 73.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 2.2999999999999998 111.191 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -35.33 74.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 3.7000000000000002 110.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -93.93 70.51 3.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.327 -0.397 . . . . 3.4700000000000002 110.997 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 40.44 75.85 0.11 Allowed Glycine 0 C--N 1.331 0.302 0 CA-C-N 115.628 -0.715 . . . . 2.5499999999999998 113.412 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.426 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . 5.5 mmm180 -147.88 155.05 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 6.0599999999999996 110.945 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.426 ' HB2' ' HB2' ' A' ' 63' ' ' ASN . 72.7 m -87.58 110.2 20.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 1.99 110.774 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.456 ' HB3' ' HG3' ' A' ' 55' ' ' LYS . . . -61.11 -37.04 81.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 1.1200000000000001 111.336 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -64.87 -41.78 95.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.97999999999999998 111.03 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.426 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 2.3 m-20 -61.31 -48.92 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 2.3199999999999998 111.038 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.87 -45.9 84.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 1.72 110.871 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -57.28 -35.8 70.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.535 . . . . 0.60999999999999999 110.742 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -39.63 94.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 1.3100000000000001 111.155 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -62.74 -45.66 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 1.8899999999999999 111.476 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.2 mt -71.81 -49.96 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 1.2 111.812 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -70.66 -14.04 62.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.69999999999999996 110.96 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.89 83.14 0.35 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.664 -0.779 . . . . 1.0800000000000001 112.452 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.73 -40.34 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 1.54 112.623 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -116.53 10.51 14.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 2.5099999999999998 111.192 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -119.61 -14.58 9.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.8400000000000001 111.01 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 m120 51.63 47.15 25.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.188 -0.46 . . . . 3.6400000000000001 111.067 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' HB3' HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -77.25 -164.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 3.3500000000000001 110.832 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.38 157.43 43.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.902 0.382 . . . . 1.5600000000000001 111.351 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.485 HG13 HD23 ' A' ' 16' ' ' LEU . 4.6 m -63.26 -22.09 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 1.8300000000000001 111.625 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.08 -54.27 48.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 2.27 110.885 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 m -55.62 -32.43 63.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 1.28 111.457 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 47.6 tp -60.38 -43.97 96.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 1.22 110.917 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -61.56 -57.51 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.84999999999999998 110.939 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.85 -15.65 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 1.24 111.739 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.55 -59.83 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 1.8600000000000001 110.901 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.541 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 31.4 m-85 -58.48 -25.87 62.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.55000000000000004 111.336 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -33.77 53.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 2.1200000000000001 110.721 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -59.54 -43.16 93.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 2.7799999999999998 110.815 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.532 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -93.92 -0.61 55.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 2.1800000000000002 110.807 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.3 46.11 16.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.541 . . . . 3.4199999999999999 111.263 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 95.2 mt -89.88 77.08 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.338 -0.392 . . . . 1.9399999999999999 110.867 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -54.31 -32.24 56.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 2.4100000000000001 111.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -50.17 54.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.394 . . . . 2.0499999999999998 111.112 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.57 -45.97 70.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 1.1799999999999999 111.248 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.424 ' O ' HG13 ' A' ' 96' ' ' ILE . 31.2 mtm -60.48 -44.59 95.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 1.9199999999999999 110.973 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 94' ' ' ARG . 4.5 ttp-105 -59.78 -19.2 49.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 3.8900000000000001 111.747 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.488 HD21 HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -72.6 -23.66 60.97 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.758 0.281 . . . . 1.46 111.758 -179.376 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 93' ' ' MET . 1.3 pt -108.47 -97.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 121.198 -0.201 . . . . 1.47 110.776 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.418 ' C ' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER 67.88 -69.76 0.14 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.787 0.291 . . . . 3.27 111.787 179.545 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -0.94 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.58 -0.282 . . . . 1.6399999999999999 111.508 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' H ' ' C ' ' A' ' 97' ' ' LYS . 98.2 m-85 -108.98 -16.13 14.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.617 -0.265 . . . . 1.46 111.255 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.61 -172.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.747 0.308 . . . . 1.6200000000000001 111.226 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.41 148.45 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 2.7799999999999998 111.05 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -84.52 -5.04 59.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 4.2599999999999998 110.863 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.93 -35.08 79.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 3.1499999999999999 111.104 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.88 -38.19 19.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.463 -0.335 . . . . 2.29 111.329 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.514 ' HA ' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -60.85 105.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.296 0.569 . . . . 3.7400000000000002 109.744 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.69 -35.95 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.605 -0.725 . . . . 3.7999999999999998 110.751 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -89.58 -11.99 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.698 -0.683 . . . . 2.6800000000000002 110.451 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.514 HD11 ' HA ' ' A' ' 105' ' ' HIS . 1.4 mp -51.02 110.25 1.69 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.529 -0.76 . . . . 3.0499999999999998 111.243 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 108' ' ' ILE . 10.0 Cg_endo -51.98 128.68 27.72 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.786 2.324 . . . . 3.1099999999999999 112.439 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.255 -0.879 . . . . 7.9400000000000004 110.855 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.49 -0.244 . . . . 14.380000000000001 112.49 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -115.23 -76.51 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.745 0.307 . . . . 13.41 110.874 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 57.1 23.1 8.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 13.41 111.098 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -148.04 -49.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 11.91 110.785 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.31 45.67 27.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.185 -0.461 . . . . 7.9199999999999999 110.997 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.5 -26.05 66.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 8.2400000000000002 110.867 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tp -133.11 -76.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 6.0700000000000003 110.828 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -158.66 -90.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 3.8599999999999999 110.895 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -171.19 10.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 4.9699999999999998 110.858 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -159.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 1.9299999999999999 111.096 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.23 155.3 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 1.3600000000000001 110.77 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.11 136.82 23.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 1.29 111.237 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.7 mt -56.2 -26.49 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.682 -0.69 . . . . 1.26 110.691 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -38.35 68.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 3.2200000000000002 110.598 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -33.64 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 2.1699999999999999 111.121 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.91 112.4 3.21 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.332 -0.394 . . . . 1.53 110.897 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HB2' HG21 ' A' ' 20' ' ' VAL . 52.4 Cg_exo -53.11 123.0 12.14 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.444 2.096 . . . . 0.53000000000000003 112.298 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.427 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -58.71 -47.69 98.24 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.183 -0.462 . . . . 2.23 111.529 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 84.4 Cg_exo -47.91 -29.44 11.72 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.341 2.027 . . . . 0.93000000000000005 112.658 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.462 HG12 ' HH ' ' A' ' 99' ' ' TYR . 64.8 t -84.95 -41.56 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.302 -0.408 . . . . 1.26 111.052 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.48 HH22 HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -59.54 -40.26 86.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 4.3099999999999996 110.871 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.26 52.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 1.22 111.718 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -47.22 73.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.454 -0.339 . . . . 2.6499999999999999 110.774 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.534 HD21 HD22 ' A' ' 95' ' ' LEU . 2.6 tm? -73.22 -29.03 62.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 2.1299999999999999 110.302 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.5 m -59.41 -44.49 92.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.92000000000000004 110.192 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 1.21 110.732 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -59.71 -56.8 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.412 -0.813 . . . . 0.92000000000000004 111.276 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD23 ' CD1' ' A' ' 24' ' ' LEU . 3.9 mm? -60.03 -34.45 73.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 1.6599999999999999 111.286 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.11 -34.13 71.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.332 -0.395 . . . . 1.21 111.104 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.68 -36.0 77.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 1.3100000000000001 111.12 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -72.07 -8.57 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 1.6899999999999999 111.167 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 53.54 62.27 2.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.443 . . . . 2.0299999999999998 111.07 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.86 26.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 1.3100000000000001 111.253 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -64.09 -39.47 94.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.57999999999999996 110.634 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.37 -41.62 96.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 2.8199999999999998 110.682 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.44 -29.06 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 3.29 110.533 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.56 -49.34 71.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.161 0.505 . . . . 1.27 109.767 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.12 -64.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.584 -0.734 . . . . 1.0700000000000001 111.078 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -25.13 66.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 1.22 111.7 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.45 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.827 0.346 . . . . 1.1499999999999999 110.732 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.13 -6.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 1.1699999999999999 110.247 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.36 98.02 0.03 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.562 -0.745 . . . . 2.6099999999999999 111.562 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.24 -171.19 2.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.094 -0.503 . . . . 1.5800000000000001 110.664 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.23 127.95 91.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 1.6799999999999999 110.936 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.45 -21.3 67.43 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.367 2.045 . . . . 1.78 112.131 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -82.58 -26.51 32.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 2.0099999999999998 111.03 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -77.21 -28.68 53.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.391 -0.368 . . . . 1.96 110.477 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.2 t -65.07 -32.81 59.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 1.5 110.748 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.54 -29.44 69.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 2.4399999999999999 111.099 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.23 -35.67 74.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 2.1200000000000001 110.993 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.3 mt -75.38 -36.91 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 1.1200000000000001 111.045 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.1 t -54.99 -54.26 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 1.8100000000000001 111.179 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.9 t -58.46 -47.75 83.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 1.47 111.277 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -60.86 -30.56 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 2.5 111.172 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -60.52 -35.43 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 2.2999999999999998 111.116 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -60.45 -19.1 55.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 3.7000000000000002 111.12 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.3 86.69 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 3.4700000000000002 110.964 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.42 -37.76 0.9 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.749 -0.739 . . . . 2.5499999999999998 112.638 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 56.8 21.79 6.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.779 0.323 . . . . 6.0599999999999996 111.109 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.3 p -112.04 57.05 0.65 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 1.99 110.92 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.89 99.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 1.1200000000000001 111.461 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.9 m -64.44 -40.53 95.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.97999999999999998 110.921 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.65 -44.41 96.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 2.3199999999999998 110.809 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.6 -43.32 90.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 1.72 110.48 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -57.63 -47.46 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.60999999999999999 110.745 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -63.69 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 1.3100000000000001 110.956 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.35 -58.07 7.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 1.8899999999999999 111.454 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.45 -49.34 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.2 111.946 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 36.6 t90 -70.52 -23.97 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.504 -0.316 . . . . 0.69999999999999996 111.08 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -124.33 60.9 0.6 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 1.0800000000000001 112.477 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.03 -37.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 1.54 112.549 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -119.85 -19.55 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 2.5099999999999998 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -84.76 -28.76 26.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 1.8400000000000001 110.645 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 53.34 51.58 15.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 3.6400000000000001 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -77.62 179.71 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 3.3500000000000001 111.126 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.472 ' HG1' ' HG1' ' A' ' 79' ' ' THR . 69.4 p -95.44 146.91 24.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.726 -0.67 . . . . 1.5600000000000001 111.123 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.13 -25.06 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 1.8300000000000001 110.863 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -41.45 89.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 2.27 110.917 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.472 ' HG1' ' HG1' ' A' ' 76' ' ' THR . 5.5 m -55.24 -37.8 67.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 1.28 111.064 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.92 -39.72 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 1.22 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.43 -62.55 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.84999999999999998 111.203 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.2 -16.42 44.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 1.24 111.629 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.8 -54.65 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.8600000000000001 111.114 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -58.14 -35.4 71.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.55000000000000004 111.222 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -38.8 59.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 2.1200000000000001 110.875 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.77 -40.77 84.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 2.7799999999999998 110.96 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 3.02 56.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 2.1800000000000002 110.93 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm 59.84 34.97 21.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.515 . . . . 3.4199999999999999 111.332 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 mt -90.73 68.73 6.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.9399999999999999 110.775 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -54.59 -40.08 68.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 2.4100000000000001 111.347 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -57.78 -47.45 82.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 2.0499999999999998 111.315 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.497 ' HA ' HD13 ' A' ' 95' ' ' LEU . . . -53.55 -42.13 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 1.1799999999999999 111.481 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.437 ' O ' HG13 ' A' ' 96' ' ' ILE . 13.7 mtm -60.27 -42.16 94.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 1.9199999999999999 111.592 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -59.51 -17.03 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.052 0.39 . . . . 3.8900000000000001 112.052 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.534 HD22 HD21 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -73.81 -24.02 59.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.65 0.262 . . . . 1.46 111.423 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -109.94 -93.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.565 -0.289 . . . . 1.47 110.761 179.686 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.476 ' C ' ' H ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 65.72 -74.05 0.06 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.769 0.318 . . . . 3.27 111.665 179.583 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.94 8.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.13 0.418 . . . . 1.6399999999999999 112.13 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.476 ' H ' ' C ' ' A' ' 97' ' ' LYS . 83.8 m-85 -109.61 -16.54 13.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 1.46 110.891 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.465 ' HB ' ' H ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -100.09 -151.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 1.6200000000000001 110.858 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.465 ' H ' ' HB ' ' A' ' 100' ' ' VAL . 3.5 t -49.98 153.16 1.42 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.929 0.395 . . . . 2.7799999999999998 111.345 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.17 -24.63 37.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.02 -0.536 . . . . 4.2599999999999998 111.404 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.54 -2.04 5.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 3.1499999999999999 111.264 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.2 mt -84.17 -54.32 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.422 -0.353 . . . . 2.29 111.774 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.44 ' HA ' HD11 ' A' ' 108' ' ' ILE . 16.1 p80 -65.47 83.44 0.06 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.058 0.456 . . . . 3.7400000000000002 111.137 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.29 4.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.82 -0.627 . . . . 3.7999999999999998 110.793 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -150.28 0.13 0.44 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.244 -0.435 . . . . 2.6800000000000002 111.934 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 105' ' ' HIS . 2.2 mp -58.48 112.42 4.92 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.475 0.179 . . . . 3.0499999999999998 111.191 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 108' ' ' ILE . 10.8 Cg_endo -53.79 124.91 17.0 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.658 2.238 . . . . 3.1099999999999999 112.27 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.259 -0.877 . . . . 7.9400000000000004 111.01 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.512 -0.235 . . . . 14.380000000000001 112.512 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -137.68 76.52 1.58 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.783 0.325 . . . . 13.41 110.984 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -114.06 70.44 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 13.41 110.786 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.4 mtt 54.72 43.22 30.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 11.91 110.86 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.64 -179.72 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.871 -0.604 . . . . 7.9199999999999999 111.213 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.61 165.56 12.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 8.2400000000000002 110.995 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -30.15 66.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 6.0700000000000003 110.899 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.32 162.09 27.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 3.8599999999999999 110.858 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -165.8 63.91 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 4.9699999999999998 110.943 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.44 -101.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.9299999999999999 111.065 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -161.62 130.36 4.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 1.3600000000000001 111.04 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.53 148.17 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.015 -0.538 . . . . 1.29 111.323 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mt -58.47 -20.93 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.467 -0.788 . . . . 1.26 110.819 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -56.19 -18.31 9.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 3.2200000000000002 111.099 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -28.04 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 2.1699999999999999 110.411 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.18 104.5 0.43 Allowed Pre-proline 0 C--O 1.231 0.124 0 CA-C-N 116.006 -0.543 . . . . 1.53 110.363 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HB2' HG22 ' A' ' 20' ' ' VAL . 26.9 Cg_exo -64.26 125.29 14.85 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.622 2.215 . . . . 0.53000000000000003 112.653 -179.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 1.1 mt -64.0 -45.73 80.42 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.838 -0.619 . . . . 2.23 111.876 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 94.1 Cg_exo -44.22 -34.58 7.1 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.363 2.042 . . . . 0.93000000000000005 112.808 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 17' ' ' PRO . 2.3 t -86.38 -43.99 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 1.26 110.992 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.4 ' NH2' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.33 -26.12 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 4.3099999999999996 110.891 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.49 -30.9 65.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.784 -0.643 . . . . 1.22 111.513 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -27.1 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 2.6499999999999999 110.969 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.486 HD12 ' HB3' ' A' ' 92' ' ' ALA . 57.7 tp -88.15 -35.24 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 2.1299999999999999 110.976 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.5 m -60.12 -42.54 94.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.92000000000000004 110.339 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.33 96.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.851 -0.613 . . . . 1.21 111.086 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -60.45 -52.81 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.92000000000000004 111.168 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 28' ' ' LEU . 4.4 mm? -59.93 -24.62 64.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.065 -0.516 . . . . 1.6599999999999999 111.414 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -32.79 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 1.21 110.802 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.62 -44.66 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 1.3100000000000001 110.974 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -20.1 62.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 1.6899999999999999 110.809 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 52.23 73.76 0.31 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 2.0299999999999998 111.023 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.66 26.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 1.3100000000000001 111.195 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.454 ' HA ' HD13 ' A' ' 37' ' ' LEU . 59.9 p-90 -66.63 -36.88 83.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.57999999999999996 110.964 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -63.19 -35.95 82.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 2.8199999999999998 110.675 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.97 -29.18 63.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.534 . . . . 3.29 110.626 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 34' ' ' TRP . 18.8 mt -65.09 -58.69 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 1.27 110.463 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.18 -55.9 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 1.0700000000000001 111.235 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -61.14 -33.15 72.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 1.22 111.736 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.67 67.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.865 0.364 . . . . 1.1499999999999999 111.071 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.98 4.53 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 1.1699999999999999 110.57 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.481 ' HB3' ' HZ2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 61.67 110.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.674 -0.693 . . . . 2.6099999999999999 111.37 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.98 156.07 46.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 1.5800000000000001 110.797 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.39 157.52 89.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 1.6799999999999999 110.728 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.22 -27.88 28.51 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.497 2.132 . . . . 1.78 111.728 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -31.73 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 2.0099999999999998 110.326 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.514 ' NE2' ' HH ' ' A' ' 73' ' ' TYR . 6.9 mm100 -78.64 -43.54 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 1.96 110.346 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.46 ' HA ' HD11 ' A' ' 51' ' ' ILE . 53.0 t -63.02 -48.03 89.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 1.5 110.663 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.22 -40.48 90.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 2.4399999999999999 110.292 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -27.98 67.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 2.1200000000000001 111.009 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 48' ' ' VAL . 24.4 mt -82.62 -56.21 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 1.1200000000000001 111.198 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.4 p -52.84 -35.61 57.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 1.8100000000000001 111.152 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 t -59.17 -68.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 1.47 110.864 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -62.3 -15.23 46.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 2.5 111.375 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -58.32 -55.27 37.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.83 0.348 . . . . 2.2999999999999998 110.945 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -15.23 36.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 3.7000000000000002 111.201 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -92.21 70.37 5.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.388 -0.369 . . . . 3.4700000000000002 110.957 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.09 57.27 1.35 Allowed Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.633 -0.712 . . . . 2.5499999999999998 113.393 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.64 158.16 43.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 6.0599999999999996 111.056 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.57 132.34 40.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.984 -0.553 . . . . 1.99 110.879 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.01 96.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 1.1200000000000001 111.295 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 m -65.71 -42.09 91.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.97999999999999998 110.767 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.36 -49.98 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 2.3199999999999998 110.824 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -64.71 -38.87 92.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 1.72 110.603 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -58.01 -46.3 85.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.969 -0.56 . . . . 0.60999999999999999 110.606 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.09 -29.67 70.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 1.3100000000000001 110.885 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.37 -20.3 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 1.8899999999999999 111.198 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.6 mt -105.06 -57.9 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.355 -0.384 . . . . 1.2 111.516 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -71.23 -4.54 26.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.438 . . . . 0.69999999999999996 111.036 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -131.02 44.03 1.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 1.0800000000000001 112.563 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.61 -39.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 1.54 112.581 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -76.33 -45.98 29.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 2.5099999999999998 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.514 ' HH ' ' NE2' ' A' ' 47' ' ' GLN . 15.6 m-85 -98.49 -21.02 16.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 1.8400000000000001 111.017 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 54.35 70.83 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 3.6400000000000001 110.8 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -178.52 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 3.3500000000000001 110.992 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.5 p -96.35 151.51 19.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 1.5600000000000001 111.231 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.3 m -63.62 -24.87 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 1.8300000000000001 110.688 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -63.62 -50.58 68.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 2.27 110.664 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -55.43 -33.31 63.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 1.28 111.064 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.4 HD12 ' NH2' ' A' ' 21' ' ' ARG . 50.0 tp -61.03 -45.89 92.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.076 -0.511 . . . . 1.22 110.815 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -61.0 -50.63 72.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.84999999999999998 110.8 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.53 -22.03 64.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 1.24 111.37 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.9 tp -66.92 -54.5 21.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 1.8600000000000001 111.086 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -58.07 -30.19 66.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.55000000000000004 111.318 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -53.39 -32.72 50.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 2.1200000000000001 111.029 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -43.46 91.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 2.7799999999999998 110.88 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.487 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -92.88 -1.23 56.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 2.1800000000000002 111.0 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm 56.66 46.99 19.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.111 -0.495 . . . . 3.4199999999999999 111.055 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.487 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 57.8 mt -90.65 71.97 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 1.9399999999999999 111.001 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -54.19 -28.43 40.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 2.4100000000000001 111.195 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.3 -53.43 19.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 2.0499999999999998 111.163 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.486 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -53.43 -32.62 50.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 1.1799999999999999 111.621 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.5 mtt -58.79 -52.24 66.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 1.9199999999999999 111.403 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -57.97 -17.79 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 3.8900000000000001 111.768 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -83.91 -28.18 28.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.639 0.256 . . . . 1.46 111.343 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.1 pt -113.24 7.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.91 0.386 . . . . 1.47 111.108 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -19.85 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 3.27 110.882 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.97 -5.01 11.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.061 -0.518 . . . . 1.6399999999999999 111.355 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -107.2 -43.49 4.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.508 -0.315 . . . . 1.46 111.192 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.1 m -97.0 148.22 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.403 -0.362 . . . . 1.6200000000000001 111.071 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.485 ' HA ' HD12 ' A' ' 104' ' ' LEU . 39.1 p 177.86 43.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 2.7799999999999998 111.263 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.576 ' HG3' ' H ' ' A' ' 103' ' ' ASP . 1.2 pt-20 -97.95 -67.99 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.055 0.455 . . . . 4.2599999999999998 110.666 178.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.576 ' H ' ' HG3' ' A' ' 102' ' ' GLU . 26.9 t0 -92.87 -7.45 46.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 3.1499999999999999 111.772 179.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 101' ' ' SER . 0.4 OUTLIER -85.29 -56.46 3.52 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 114.117 1.154 . . . . 2.29 114.117 -177.104 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.507 ' HA ' HD11 ' A' ' 108' ' ' ILE . 5.3 p80 -43.64 93.32 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.458 0.647 . . . . 3.7400000000000002 112.282 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -179.99 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.22 -0.9 . . . . 3.7999999999999998 109.965 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -98.02 -10.89 23.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.783 -0.644 . . . . 2.6800000000000002 110.511 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.507 HD11 ' HA ' ' A' ' 105' ' ' HIS . 1.5 mp -51.2 125.43 24.7 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 115.885 -0.598 . . . . 3.0499999999999998 111.419 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -84.84 178.75 4.66 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.714 2.276 . . . . 3.1099999999999999 112.429 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.257 -0.878 . . . . 7.9400000000000004 111.0 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.482 ' H3 ' ' HE1' ' A' ' 4' ' ' MET . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.584 -0.207 . . . . 14.380000000000001 112.584 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.35 105.23 4.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.694 0.283 . . . . 13.41 110.87 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.4 m80 58.27 -90.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 13.41 111.169 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.482 ' HE1' ' H3 ' ' A' ' 1' ' ' GLY . 2.0 ttm 61.02 175.47 0.11 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.367 -0.378 . . . . 11.91 111.116 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m 54.18 58.76 4.7 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.006 -0.543 . . . . 7.9199999999999999 111.146 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -129.99 171.71 12.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 8.2400000000000002 110.867 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -68.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 6.0700000000000003 110.703 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -166.06 40.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 3.8599999999999999 110.589 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 57.18 -101.53 0.13 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 4.9699999999999998 110.789 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 47.04 86.68 0.02 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.86 0.362 . . . . 1.9299999999999999 111.604 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 130.57 45.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 1.3600000000000001 110.836 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 76' ' ' THR . . . -50.04 151.58 1.91 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.142 -0.481 . . . . 1.29 110.866 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.495 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.1 mt -49.95 -28.5 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.753 -0.658 . . . . 1.26 110.786 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.92 -43.06 76.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.064 -0.516 . . . . 3.2200000000000002 110.424 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -35.73 67.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 2.1699999999999999 110.429 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -53.11 115.59 7.79 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 1.53 110.828 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' HD11 ' A' ' 16' ' ' LEU . 33.5 Cg_exo -59.48 121.35 9.74 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.357 2.038 . . . . 0.53000000000000003 112.083 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -57.04 -47.5 98.99 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.102 -0.499 . . . . 2.23 111.538 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 83.9 Cg_exo -48.72 -34.75 28.37 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.372 2.048 . . . . 0.93000000000000005 112.716 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.3 t -85.54 -32.2 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.44 -0.345 . . . . 1.26 110.943 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -60.5 -32.28 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 4.3099999999999996 110.898 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.21 -15.83 11.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.975 -0.557 . . . . 1.22 111.691 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -56.1 12.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.443 -0.344 . . . . 2.6499999999999999 110.857 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.538 HD22 HD12 ' A' ' 95' ' ' LEU . 1.6 tm? -64.07 -37.42 87.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 2.1299999999999999 110.587 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.3 m -58.43 -45.9 87.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.936 0.398 . . . . 0.92000000000000004 110.283 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.05 82.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.56 . . . . 1.21 110.647 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -61.69 -60.69 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.673 -0.694 . . . . 0.92000000000000004 111.114 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD11 HD13 ' A' ' 24' ' ' LEU . 1.3 mt -59.47 -26.37 65.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 1.6599999999999999 111.638 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -54.59 -35.06 62.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.411 -0.359 . . . . 1.21 111.129 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.85 -38.49 79.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 1.3100000000000001 111.04 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.06 -23.91 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 1.6899999999999999 111.082 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.74 67.77 0.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 2.0299999999999998 110.909 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.2 m -137.16 21.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 1.3100000000000001 111.155 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.406 ' HA ' HD13 ' A' ' 37' ' ' LEU . 29.3 p-90 -61.67 -33.07 73.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.57999999999999996 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.92 -33.52 75.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 2.8199999999999998 110.813 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -33.33 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 3.29 110.875 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 34' ' ' TRP . 4.9 mt -64.77 -58.4 6.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 1.27 110.715 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.79 -55.86 12.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 1.0700000000000001 111.545 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 m -60.31 -40.22 89.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 1.22 111.47 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.53 66.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.423 -0.353 . . . . 1.1499999999999999 111.175 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.3 m -104.23 3.9 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 1.1699999999999999 111.003 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 tptt 58.74 93.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.929 -0.578 . . . . 2.6099999999999999 110.995 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.81 158.01 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 1.5800000000000001 110.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -69.15 130.88 90.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.6799999999999999 110.677 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.06 -19.95 35.19 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.48 2.12 . . . . 1.78 112.354 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.99 -31.4 39.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 2.0099999999999998 110.747 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -78.2 -32.12 49.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 1.96 110.798 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -37.33 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.085 0.469 . . . . 1.5 110.285 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -40.59 90.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.582 -0.736 . . . . 2.4399999999999999 110.587 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -40.39 87.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 2.1200000000000001 110.946 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.405 HG23 ' HB2' ' A' ' 64' ' ' GLU . 17.3 mt -67.15 -48.3 79.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 1.1200000000000001 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 t -53.78 -33.03 54.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 1.8100000000000001 111.067 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -62.1 2.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 1.47 111.019 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -61.27 -36.28 79.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 2.5 111.069 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -34.05 74.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 2.2999999999999998 111.082 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -22.16 62.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 3.7000000000000002 111.051 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.16 90.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 3.4700000000000002 110.859 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.93 -15.82 5.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.818 -0.706 . . . . 2.5499999999999998 112.598 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' HB3' ' H ' ' A' ' 60' ' ' SER . 19.9 mtm180 55.01 -152.41 0.35 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.558 0.218 . . . . 6.0599999999999996 110.809 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.424 ' H ' ' HB3' ' A' ' 59' ' ' ARG . 0.8 OUTLIER 58.27 48.37 12.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.942 0.401 . . . . 1.99 110.847 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.36 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.555 . . . . 1.1200000000000001 111.263 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -28.44 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.97999999999999998 110.87 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -61.07 -51.42 69.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 2.3199999999999998 110.585 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HB2' HG23 ' A' ' 51' ' ' ILE . 10.4 mm-40 -65.61 -40.46 92.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 1.72 110.595 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.21 -46.61 82.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.60999999999999999 110.663 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.47 -31.4 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 1.3100000000000001 111.014 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.31 -51.74 64.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 1.8899999999999999 111.343 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.8 mt -72.96 -50.54 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 1.2 111.743 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -70.74 -11.15 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.69999999999999996 111.091 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.495 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -116.31 54.85 0.57 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 1.0800000000000001 112.482 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -171.16 -37.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.815 -0.707 . . . . 1.54 112.471 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.16 -9.99 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 2.5099999999999998 110.801 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -111.47 -20.21 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 1.8400000000000001 110.802 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m120 57.33 31.21 19.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.077 -0.511 . . . . 3.6400000000000001 111.412 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -77.85 143.5 37.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 3.3500000000000001 110.773 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 8.5 p -89.13 178.37 6.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 1.5600000000000001 111.106 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 t -63.63 -23.06 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 1.8300000000000001 111.108 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -57.9 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 2.27 110.806 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.7 m -53.6 -36.26 61.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 1.28 110.937 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.1 tp -61.74 -39.46 91.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.933 -0.576 . . . . 1.22 110.736 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.457 ' HB2' HG21 ' A' ' 100' ' ' VAL . 25.8 t80 -60.82 -48.78 80.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.027 -0.533 . . . . 0.84999999999999998 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.01 -25.68 67.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 1.24 111.301 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -51.69 56.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 1.8600000000000001 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -57.84 -34.55 69.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.55000000000000004 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -53.58 -37.47 62.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 2.1200000000000001 111.107 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -41.05 84.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 2.7799999999999998 111.109 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -92.6 1.01 57.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 2.1800000000000002 111.183 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? 56.94 45.82 20.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.426 . . . . 3.4199999999999999 111.179 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.8 mt -89.32 80.3 6.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 1.9399999999999999 110.75 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.39 -32.61 50.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 2.4100000000000001 111.311 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.06 -56.45 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 2.0499999999999998 111.245 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.56 -38.59 55.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 1.1799999999999999 111.436 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.8 mtp -59.68 -62.3 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.391 -0.368 . . . . 1.9199999999999999 110.829 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -60.63 -12.61 10.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.514 . . . . 3.8900000000000001 111.258 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.538 HD12 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -74.1 -26.34 60.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 1.46 111.334 -179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.5 71.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.871 0.367 . . . . 1.47 111.522 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.25 -50.9 4.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 3.27 110.927 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.464 ' HA ' ' HE2' ' A' ' 105' ' ' HIS . 0.6 OUTLIER -65.34 -4.28 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 1.6399999999999999 111.575 -179.671 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.41 ' HB3' HD21 ' A' ' 16' ' ' LEU . 10.6 m-85 -107.34 -23.12 12.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 1.46 111.25 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 101' ' ' SER . 0.4 OUTLIER -97.72 -167.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 1.6200000000000001 111.792 -178.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.534 ' N ' ' CG1' ' A' ' 100' ' ' VAL . 4.3 m -50.75 170.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.552 -0.749 . . . . 2.7799999999999998 111.75 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 0.0 OUTLIER -87.56 -2.71 58.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.693 -0.685 . . . . 4.2599999999999998 111.168 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -50.43 73.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 3.1499999999999999 111.662 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.55 42.37 0.95 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.902 0.382 . . . . 2.29 111.268 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 98' ' ' ASP . 1.8 m-70 -122.59 70.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 3.7400000000000002 110.234 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.29 -36.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.91 -0.586 . . . . 3.7999999999999998 110.956 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -88.99 -1.42 58.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.819 -0.628 . . . . 2.6800000000000002 110.366 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 105' ' ' HIS . 1.3 mp -50.89 130.93 29.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.737 -0.665 . . . . 3.0499999999999998 111.028 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.34 117.3 5.03 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.417 2.078 . . . . 3.1099999999999999 112.401 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.248 -0.882 . . . . 7.9400000000000004 110.851 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.501 -0.24 . . . . 14.380000000000001 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -90.51 30.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 13.41 110.885 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -143.3 134.27 25.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 13.41 110.893 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.4 92.8 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 11.91 110.918 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -124.4 65.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 7.9199999999999999 110.719 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.33 99.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.967 -0.561 . . . . 8.2400000000000002 110.991 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.17 -159.37 0.3 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.052 -0.522 . . . . 6.0700000000000003 110.812 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.6 91.82 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.32 -0.4 . . . . 3.8599999999999999 111.01 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -120.93 34.49 5.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 4.9699999999999998 110.883 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.9 p -106.26 -115.4 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 1.9299999999999999 110.941 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -161.58 127.32 3.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.643 0.258 . . . . 1.3600000000000001 110.757 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.91 155.06 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 1.29 111.125 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.615 ' HB ' ' HB2' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -53.94 -27.55 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 1.26 110.747 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -37.35 71.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.026 0.441 . . . . 3.2200000000000002 110.232 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -35.38 66.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.793 -0.64 . . . . 2.1699999999999999 110.587 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 3.7 mm? -52.07 117.56 10.35 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.808 -0.633 . . . . 1.53 110.858 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.6 117.69 4.43 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.3 2.0 . . . . 0.53000000000000003 111.991 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.591 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -61.74 -49.83 84.48 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.308 -0.406 . . . . 2.23 111.844 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 12.9 Cg_endo -56.0 -30.44 78.19 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.217 1.945 . . . . 0.93000000000000005 112.688 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -86.11 -42.89 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 1.26 111.053 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' HE ' ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -61.04 -31.72 71.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 4.3099999999999996 110.906 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.09 -14.09 6.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 1.22 111.406 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -67.44 -52.03 44.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 2.6499999999999999 111.083 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HB2' HD21 ' A' ' 95' ' ' LEU . 46.9 tp -77.69 -25.26 49.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.491 -0.322 . . . . 2.1299999999999999 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -42.82 93.2 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.662 -0.496 . . . . 0.92000000000000004 109.662 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.21 94.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.548 -0.751 . . . . 1.21 110.54 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.57 -54.76 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.283 -0.872 . . . . 0.92000000000000004 111.283 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD22 ' HG ' ' A' ' 24' ' ' LEU . 3.7 mm? -57.13 -41.44 79.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 1.6599999999999999 111.05 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' HB2' ' HG ' ' A' ' 62' ' ' SER . 26.4 t70 -74.32 -24.51 59.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 1.21 110.679 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.46 -34.03 75.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 1.3100000000000001 110.598 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.98 2.71 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.84 -0.618 . . . . 1.6899999999999999 110.619 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 61.24 43.48 10.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.826 -0.625 . . . . 2.0299999999999998 110.9 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.651 ' HB ' ' HG2' ' A' ' 36' ' ' GLN . 17.3 m -134.59 61.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 1.3100000000000001 111.356 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 51.1 p-90 -87.71 -27.81 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.354 -0.61 . . . . 0.57999999999999996 109.354 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -26.98 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.27 -0.877 . . . . 2.8199999999999998 110.795 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.651 ' HG2' ' HB ' ' A' ' 33' ' ' VAL . 1.3 pp0? -69.15 -33.12 72.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.711 -0.677 . . . . 3.29 111.262 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.501 ' N ' ' HG3' ' A' ' 36' ' ' GLN . 1.2 mt -69.63 -60.91 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.789 0.328 . . . . 1.27 110.868 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.64 -55.94 16.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 1.0700000000000001 111.621 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.1 m -60.42 -34.34 73.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 1.22 111.964 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.26 -35.76 62.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.809 0.338 . . . . 1.1499999999999999 111.115 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.9 m -106.22 2.61 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 1.1699999999999999 110.836 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.6 96.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.862 -0.608 . . . . 2.6099999999999999 110.937 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -114.02 157.35 22.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.5800000000000001 111.073 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.412 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 76.1 m-85 -68.96 132.09 90.6 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 1.6799999999999999 110.56 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.9 -17.35 23.53 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.558 2.172 . . . . 1.78 112.666 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.96 -33.77 33.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 2.0099999999999998 110.594 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.412 ' HG3' ' HB2' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -77.62 -29.89 52.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 1.96 110.267 179.454 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.04 -31.16 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.917 -0.583 . . . . 1.5 110.625 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.17 -36.8 75.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 2.4399999999999999 110.893 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -49.44 77.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 2.1200000000000001 111.287 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.2 mt -61.22 -52.19 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 1.1200000000000001 111.514 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -32.71 49.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 1.8100000000000001 111.551 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -58.7 -69.02 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.385 -0.37 . . . . 1.47 111.418 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.18 -29.41 69.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 2.5 111.239 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.529 ' HG3' ' HB1' ' A' ' 61' ' ' ALA . 9.7 ttpt -59.42 -42.83 92.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 2.2999999999999998 111.213 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -59.82 -26.71 66.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 3.7000000000000002 111.154 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -93.05 70.52 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.38 . . . . 3.4700000000000002 110.969 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 33.24 69.92 0.14 Allowed Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.672 -0.694 . . . . 2.5499999999999998 113.347 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -146.61 162.68 37.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 6.0599999999999996 111.075 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.32 117.13 27.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 1.99 110.891 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.529 ' HB1' ' HG3' ' A' ' 55' ' ' LYS . . . -61.75 -39.35 91.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 1.1200000000000001 111.296 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.434 ' HG ' ' HB2' ' A' ' 29' ' ' ASP . 17.3 m -64.74 -35.8 82.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.97999999999999998 111.234 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -60.69 -54.7 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 2.3199999999999998 111.043 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.73 -40.62 95.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 1.72 110.765 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.84 -43.57 77.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.922 -0.581 . . . . 0.60999999999999999 110.995 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -65.84 -38.3 88.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 1.3100000000000001 111.54 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.29 -20.21 64.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 1.8899999999999999 112.138 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.12 -36.87 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.815 0.34 . . . . 1.2 111.703 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -71.87 -52.53 16.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.26 -0.427 . . . . 0.69999999999999996 111.118 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.94 73.73 1.91 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 1.0800000000000001 112.543 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.45 -33.62 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.861 -0.685 . . . . 1.54 112.405 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.81 30.91 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.979 0.419 . . . . 2.5099999999999998 110.714 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' A' ' 74' ' ' ASN . 27.4 m-85 -143.71 32.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.93 -0.577 . . . . 1.8400000000000001 110.681 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 73' ' ' TYR . 3.8 m-80 75.68 -23.94 0.23 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.703 -0.681 . . . . 3.6400000000000001 111.195 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.615 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 44.9 p-80 37.17 -136.6 0.05 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.167 -0.47 . . . . 3.3500000000000001 112.247 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 75' ' ' HIS . 9.6 p 80.36 151.66 0.11 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.126 0.97 . . . . 1.5600000000000001 111.171 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.2 t -60.78 -49.25 85.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.616 -0.72 . . . . 1.8300000000000001 111.915 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -48.99 -44.1 40.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.86 0.362 . . . . 2.27 110.466 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 m -57.51 -41.75 81.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.899 -0.591 . . . . 1.28 110.993 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.35 -39.41 90.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.061 -0.518 . . . . 1.22 111.016 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -60.6 -33.91 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.84999999999999998 110.759 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.79 86.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 1.24 111.221 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.65 -51.46 59.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 1.8600000000000001 111.06 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.487 ' C ' HD12 ' A' ' 89' ' ' LEU . 11.2 m-30 -56.85 -60.94 2.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.018 -0.537 . . . . 0.55000000000000004 111.211 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -51.14 -30.49 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.725 0.298 . . . . 2.1200000000000001 111.526 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -59.92 -35.57 75.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 2.7799999999999998 111.677 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.8 tp -92.17 3.42 55.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.492 -0.322 . . . . 2.1800000000000002 111.702 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? 55.11 51.33 13.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 3.4199999999999999 110.987 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -89.57 72.26 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.9399999999999999 111.005 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.25 -18.98 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 2.4100000000000001 112.206 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.413 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 1.3 m120 -89.18 -60.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.695 0.283 . . . . 2.0499999999999998 111.53 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 89' ' ' LEU . . . -53.6 -23.88 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 1.1799999999999999 111.764 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.37 -59.44 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 1.9199999999999999 111.52 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.488 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 5.6 ptm180 -58.1 -16.51 13.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 3.8900000000000001 111.979 -179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -73.17 -38.93 66.02 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.558 0.207 . . . . 1.46 111.558 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 pt -114.6 10.25 7.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.757 0.313 . . . . 1.47 111.141 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -68.63 -29.85 68.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 3.27 110.567 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.63 2.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.928 -0.578 . . . . 1.6399999999999999 111.61 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -102.47 -40.02 6.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.82 0.343 . . . . 1.46 110.936 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.9 m -97.63 -164.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 1.6200000000000001 110.493 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.3 p 178.84 -56.98 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.761 0.315 . . . . 2.7799999999999998 111.444 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.491 ' HG2' ' H ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -49.93 -45.07 50.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.925 -0.58 . . . . 4.2599999999999998 111.197 -179.632 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.491 ' H ' ' HG2' ' A' ' 102' ' ' GLU . 0.4 OUTLIER -69.15 -28.01 66.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 3.1499999999999999 111.467 -179.785 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 mt -84.96 -22.55 29.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.523 -0.308 . . . . 2.29 111.657 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -69.27 76.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 3.7400000000000002 110.956 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.48 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.928 -0.578 . . . . 3.7999999999999998 110.804 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -150.71 7.68 0.56 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.235 -0.439 . . . . 2.6800000000000002 111.744 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.96 130.44 39.24 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.793 -0.185 . . . . 3.0499999999999998 111.093 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.25 151.48 22.27 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.372 2.048 . . . . 3.1099999999999999 112.217 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.182 -0.913 . . . . 7.9400000000000004 110.953 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.0 ptm . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.889 0.376 . . . . 1.23 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.02 144.6 11.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.0 -0.545 . . . . 0.62 111.239 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.533 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.3 mt -57.34 -29.86 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.636 . . . . 0.65 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -29.12 54.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 2.82 110.518 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tt -78.89 -36.43 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.827 -0.624 . . . . 1.51 110.42 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.32 111.7 2.54 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.888 -0.597 . . . . 0.93 110.915 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.52 120.12 7.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.341 2.027 . . . . 0.48 112.176 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.614 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -57.43 -49.45 93.81 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.144 -0.48 . . . . 1.64 111.808 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.7 Cg_endo -53.86 -23.01 25.72 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.209 1.94 . . . . 0.59 112.365 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.454 HG11 ' OH ' ' A' ' 99' ' ' TYR . 85.3 t -86.23 -42.06 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.65 110.807 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -60.24 -26.3 66.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 3.62 110.951 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -24.38 50.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.48 111.294 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -43.28 80.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 2.14 110.953 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tt -75.3 -42.15 55.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.51 110.923 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.7 m -57.57 -45.49 85.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.021 0.438 . . . . 0.55 110.347 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.15 90.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.52 110.832 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -62.96 -60.57 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.7 -0.682 . . . . 0.72 111.01 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.08 -23.27 61.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 1.09 111.184 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -60.49 -37.49 81.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 1.2 111.052 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.71 -29.67 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.68 110.994 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -16.26 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.16 111.034 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.06 53.94 9.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 2.03 110.967 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.41 32.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.54 111.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.708 ' HA ' HD12 ' A' ' 37' ' ' LEU . 40.5 p-90 -65.59 -38.11 88.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.5 110.856 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -29.31 70.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 2.32 110.943 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.548 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 1.6 mp0 -72.03 -7.76 50.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 3.29 110.992 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.9 mt -93.97 -58.48 2.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.322 -0.399 . . . . 0.65 110.096 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 -56.08 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.41 111.109 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -61.34 -35.51 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.51 111.404 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -56.22 -34.29 66.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.513 -0.312 . . . . 0.47 111.356 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.3 m -102.05 4.82 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.396 -0.366 . . . . 0.5 110.896 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.46 102.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.893 -0.594 . . . . 2.14 111.13 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -132.7 157.59 44.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.03 110.997 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.451 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 39.3 m-85 -69.74 137.32 87.9 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 1.41 110.664 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 31.6 Cg_exo -59.97 -21.72 66.02 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.564 2.176 . . . . 1.32 112.471 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -68.41 -32.11 71.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.418 -0.355 . . . . 2.01 110.831 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -32.89 48.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 1.94 110.643 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.563 ' HA ' HD12 ' A' ' 51' ' ' ILE . 28.0 t -63.82 -32.68 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.88 110.925 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -46.56 89.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 2.44 111.055 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.85 -32.47 69.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 2.12 111.36 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 48' ' ' VAL . 16.3 mt -76.91 -47.98 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.47 111.212 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -54.09 -52.84 59.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 1.42 111.296 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -57.93 -41.01 81.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.93 111.245 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -41.34 97.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 2.48 111.21 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -60.12 -30.59 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 1.77 111.27 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 3.02 111.162 -179.758 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . 15.8 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.74 0.305 . . . . 1.51 110.948 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.06 82.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.39 111.189 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -33.75 76.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.66 110.805 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.4 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 0.1 OUTLIER -60.67 -51.29 70.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 1.79 110.285 179.551 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.66 -38.2 88.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 1.72 110.406 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -56.63 -48.08 78.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.845 -0.616 . . . . 0.5 110.674 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.83 -34.27 77.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.65 110.891 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -64.0 -26.2 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 1.48 111.464 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.9 mt -94.98 -53.97 7.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.511 -0.313 . . . . 0.52 111.603 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -71.0 -11.57 61.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.63 111.008 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.533 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -130.4 58.63 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 1.08 112.474 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.34 -29.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.878 -0.677 . . . . 1.54 112.397 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -100.46 -44.01 6.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.861 0.362 . . . . 1.99 110.805 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -100.7 -26.78 13.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 1.53 110.784 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 65.44 145.64 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.005 -0.543 . . . . 3.1 111.361 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.401 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -161.41 -152.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 2.8 110.46 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.4 p -144.76 158.91 43.6 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.835 0.35 . . . . 1.17 111.064 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.01 -17.81 21.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 1.25 111.317 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -63.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 2.24 110.919 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 m -55.87 -34.01 65.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 0.71 111.283 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 57.7 tp -61.22 -33.85 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.5 111.232 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.35 -60.01 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.73 111.177 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.12 -16.14 40.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.67 111.721 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 32.6 tp -66.29 -54.21 27.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.7 0.286 . . . . 1.23 111.033 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -58.56 -26.59 63.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.46 111.218 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -54.73 -18.28 4.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 1.59 111.177 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.3 -57.47 12.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 2.31 111.344 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mt -92.87 10.52 30.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 1.57 111.252 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt 54.4 51.24 14.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 2.87 110.874 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -89.1 79.0 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 1.31 111.104 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -54.89 -27.78 45.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.125 -0.489 . . . . 1.84 110.978 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 27.7 m120 -68.22 -56.12 9.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.98 110.916 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.14 -33.69 58.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 0.42 111.221 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -66.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 1.29 111.238 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -58.28 -17.02 16.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 3.39 111.402 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -40.06 89.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.472 -0.331 . . . . 0.79 110.962 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.83 49.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 1.29 111.285 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 -33.23 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 2.85 110.677 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.18 1.31 3.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 1.64 111.347 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.454 ' OH ' HG11 ' A' ' 20' ' ' VAL . 78.9 m-85 -110.79 -12.47 14.28 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.753 0.279 . . . . 1.13 111.753 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.332 -0.187 0 CA-C-O 120.758 0.313 . . . . 1.37 110.998 179.666 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.6 ptm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.829 0.347 . . . . 1.23 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HA ' HG22 ' A' ' 76' ' ' THR . . . -51.91 155.27 1.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.08 -0.509 . . . . 0.62 111.117 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.417 HG21 ' HA3' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -56.19 -32.33 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.65 110.692 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -56.82 -34.86 68.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.52 . . . . 2.82 110.315 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.22 -40.47 96.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.88 -0.6 . . . . 1.51 110.491 179.49 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -53.5 112.14 3.41 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.824 -0.625 . . . . 0.93 110.822 179.652 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD2' HD13 ' A' ' 16' ' ' LEU . 37.7 Cg_exo -57.84 120.83 8.98 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.254 1.969 . . . . 0.48 112.007 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.41 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 3.6 mt -54.12 -48.26 94.74 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.157 -0.474 . . . . 1.64 111.679 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 73.1 Cg_exo -48.71 -29.37 14.38 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.228 1.952 . . . . 0.59 112.455 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.04 -35.87 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.65 111.065 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.488 ' NH1' HD21 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.59 -30.3 68.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 3.62 110.945 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -20.88 29.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.48 111.488 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -55.57 12.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 2.14 111.016 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.601 HD23 HD13 ' A' ' 95' ' ' LEU . 2.5 tm? -74.66 -30.77 61.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 1.51 110.815 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.7 m -59.01 -45.54 90.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.003 0.43 . . . . 0.55 110.458 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.1 99.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.823 -0.626 . . . . 0.52 110.847 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -59.83 -54.75 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.531 -0.759 . . . . 0.72 111.021 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 24' ' ' LEU . 3.7 mm? -58.52 -29.27 66.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 1.09 110.938 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -72.01 -34.2 68.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.2 110.893 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.51 81.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.68 110.982 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.43 -8.76 55.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 1.16 110.91 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 53.68 63.76 2.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 2.03 111.16 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 m -137.26 19.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.54 111.142 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 20.5 p-90 -61.51 -35.62 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.5 110.926 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -63.22 -33.27 75.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 2.32 110.877 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.19 -31.19 65.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 3.29 110.909 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.44 -56.46 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.65 110.521 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -58.36 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 0.41 111.431 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -60.36 -33.3 72.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.51 111.718 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.64 -34.28 64.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.46 -0.336 . . . . 0.47 111.445 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -104.58 5.55 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.5 111.104 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.85 94.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 2.14 111.024 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.94 161.79 28.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 1.03 110.795 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 47.7 m-85 -69.7 137.47 88.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 1.41 110.628 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 32.5 Cg_exo -58.66 -21.04 53.67 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.478 2.119 . . . . 1.32 112.349 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -30.31 65.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 2.01 110.577 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -78.41 -42.23 30.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 1.94 110.531 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 51' ' ' ILE . 21.1 t -63.98 -40.18 88.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.046 -0.525 . . . . 0.88 110.844 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -60.25 -40.0 88.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.92 -0.582 . . . . 2.44 110.886 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.87 67.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 2.12 110.968 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 48' ' ' VAL . 21.5 mt -73.13 -49.61 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.47 111.159 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -33.79 58.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 1.42 111.109 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -68.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.93 111.11 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -61.1 -24.28 66.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 2.48 111.044 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -60.78 -34.42 74.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 1.77 111.012 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 3.02 111.038 -179.857 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.824 0.345 . . . . 1.51 110.883 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.97 90.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.39 111.385 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 m -64.24 -30.05 71.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.66 111.014 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.9 -55.89 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 1.79 110.889 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -64.98 -37.87 89.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 1.72 110.736 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -57.62 -46.54 83.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.5 110.869 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.3 -36.86 85.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.65 111.213 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.88 -29.11 70.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 1.48 111.634 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mt -88.41 -54.81 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.52 111.718 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -69.92 -15.1 63.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.63 110.926 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.417 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -117.7 58.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 1.08 112.551 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -166.26 -32.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.73 -0.748 . . . . 1.54 112.422 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -113.92 11.62 17.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 1.99 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -121.44 -23.34 5.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 1.53 110.85 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 56.2 45.35 23.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.143 -0.48 . . . . 3.1 111.244 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -77.5 -162.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 2.8 110.684 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 12' ' ' ALA . 30.4 p -144.99 172.56 12.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.391 -0.368 . . . . 1.17 110.707 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 99' ' ' TYR . 29.3 m -63.94 -17.36 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 1.25 111.15 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.41 -63.63 1.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 2.24 110.946 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -53.97 -35.51 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.71 111.177 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.488 HD21 ' NH1' ' A' ' 21' ' ' ARG . 31.8 tp -60.77 -50.99 71.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.5 110.949 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -61.38 -54.43 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.73 111.309 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.447 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -60.28 -23.84 64.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.67 111.729 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.36 -44.93 81.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.563 -0.29 . . . . 1.23 111.161 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -58.85 -32.52 69.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.46 111.225 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.447 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -53.35 -43.3 67.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 1.59 111.109 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -60.0 -30.94 69.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 2.31 111.177 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.08 -6.57 47.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 1.57 110.941 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt 57.03 43.0 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 2.87 111.17 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.6 mt -89.28 80.07 6.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 1.31 110.897 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -54.88 -34.95 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 1.84 111.148 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.64 -55.97 8.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 1.98 110.931 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.63 47.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 0.42 111.126 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 mtm -58.62 -66.53 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 1.29 110.858 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.463 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 7.2 ptm180 -58.77 -21.73 56.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.142 -0.481 . . . . 3.39 110.8 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.601 HD13 HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.36 -35.11 79.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.79 110.975 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.447 HG22 HH22 ' A' ' 21' ' ' ARG . 1.8 pt -118.21 25.92 4.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 1.29 111.094 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -87.45 76.66 8.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.089 -0.505 . . . . 2.85 111.012 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -176.4 -19.63 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 1.64 111.556 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.464 ' O ' HG21 ' A' ' 77' ' ' VAL . 56.2 m-85 -104.04 3.7 33.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.716 0.293 . . . . 1.13 111.045 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 1.37 111.225 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.9 ptm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.78 0.324 . . . . 1.23 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.77 145.43 9.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.62 111.128 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.691 HD12 ' HB3' ' A' ' 75' ' ' HIS . 1.4 mt -55.72 -26.72 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.65 110.739 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -54.63 -38.94 67.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 2.82 110.606 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -40.12 94.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 1.51 110.782 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD23 HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -51.42 108.75 1.13 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.024 -0.534 . . . . 0.93 111.08 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.21 128.8 28.65 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.349 2.033 . . . . 0.48 112.329 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.612 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -62.45 -49.9 81.45 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.173 -0.467 . . . . 1.64 111.685 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.1 Cg_endo -53.35 -30.41 52.34 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.142 1.894 . . . . 0.59 112.366 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.25 -37.82 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.65 110.79 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' HE ' ' HB3' ' A' ' 66' ' ' LEU . 4.7 ttp180 -61.06 -34.4 74.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.994 -0.548 . . . . 3.62 110.787 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -24.12 49.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 0.48 111.223 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -67.14 -46.45 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 2.14 110.576 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD21 ' CE2' ' A' ' 84' ' ' PHE . 37.6 tp -72.4 -37.89 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 1.51 110.651 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.7 m -59.59 -39.42 84.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.55 110.188 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.92 99.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 0.52 110.515 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -60.07 -51.33 70.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.451 -0.795 . . . . 0.72 110.683 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.58 -36.4 76.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.847 -0.615 . . . . 1.09 111.077 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.0 -32.97 74.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 1.2 110.899 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.79 81.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.68 111.132 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -9.88 58.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 1.16 111.05 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 55.12 57.06 5.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 2.03 110.979 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.85 31.27 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.54 110.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.63 ' HA ' HD12 ' A' ' 37' ' ' LEU . 49.1 p-90 -70.1 -35.93 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.5 110.87 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.6 -30.32 71.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 2.32 110.874 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -71.96 -29.36 64.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 3.29 110.861 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 34' ' ' TRP . 13.1 mt -65.65 -59.66 3.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.368 -0.378 . . . . 0.65 110.263 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.87 38.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 0.41 111.194 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -61.28 -35.74 78.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.51 111.397 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.36 -33.27 65.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.4 -0.364 . . . . 0.47 111.047 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.517 HG23 ' HG ' ' A' ' 43' ' ' LEU . 35.6 m -103.39 1.57 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.5 110.585 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.53 93.08 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.685 -0.688 . . . . 2.14 111.346 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.517 ' HG ' HG23 ' A' ' 41' ' ' VAL . 48.9 mt -117.95 156.03 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 1.03 110.69 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' VAL . 62.7 m-85 -69.86 128.77 91.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 1.41 110.817 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.56 -24.04 34.73 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.392 2.061 . . . . 1.32 112.437 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -37.97 68.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.429 . . . . 2.01 110.787 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -36.46 45.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.94 110.849 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' TYR . 16.3 t -64.87 -24.97 36.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.88 110.935 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.48 -32.62 70.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.976 -0.556 . . . . 2.44 111.016 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -59.64 -33.66 71.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 2.12 110.984 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.7 mt -75.91 -51.83 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.47 111.306 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -43.78 72.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 1.42 111.272 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -58.55 -57.17 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.93 111.368 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.59 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -61.85 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 2.48 110.83 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.705 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -60.46 -33.7 72.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.77 111.16 -179.686 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 3.02 111.185 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.02 0.438 . . . . 1.51 110.794 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.705 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.22 -29.53 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.936 -0.575 . . . . 0.39 111.181 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -64.81 -36.13 83.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.66 111.054 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -53.01 62.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 1.79 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.59 ' HG3' ' HG2' ' A' ' 54' ' ' GLN . 15.2 mm-40 -64.39 -42.26 96.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 1.72 110.902 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -56.61 -44.3 81.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.5 110.797 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB3' ' HE ' ' A' ' 21' ' ' ARG . 1.1 mm? -65.35 -33.95 77.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.65 111.197 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.52 -52.64 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 1.48 111.631 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 64' ' ' GLU . 3.3 mt -70.62 -50.11 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.52 111.872 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -70.11 -63.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.63 111.009 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.458 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -83.6 87.21 1.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.65 -0.786 . . . . 1.08 112.562 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 158.53 -34.03 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 1.54 112.526 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -96.36 -39.5 9.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 1.99 111.03 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -81.0 -2.16 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 1.53 110.946 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 55.49 47.52 20.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.028 0.442 . . . . 3.1 110.7 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.691 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -76.79 -163.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 2.8 111.019 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 61.6 p -143.64 161.98 37.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.37 -0.377 . . . . 1.17 110.854 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 99' ' ' TYR . 28.6 m -63.95 -14.55 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.995 -0.548 . . . . 1.25 111.787 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -58.27 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 2.24 111.12 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.0 m -53.75 -36.74 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.71 111.379 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.16 -38.21 85.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.5 110.852 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -61.41 -58.33 8.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.73 110.853 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.83 -18.03 58.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.938 -0.574 . . . . 0.67 111.437 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.602 HD22 HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -65.83 -59.96 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 1.23 111.028 -179.831 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.49 ' CE2' HD21 ' A' ' 24' ' ' LEU . 26.2 m-85 -57.86 -27.27 63.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.233 -0.44 . . . . 0.46 111.181 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -53.1 -35.68 59.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 1.59 110.934 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -40.71 84.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 2.31 110.892 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -93.33 -0.44 56.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.57 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 56.46 46.01 21.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 2.87 110.908 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 80.0 mt -89.3 76.47 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.31 110.917 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -33.87 60.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 1.84 111.022 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.91 -50.41 66.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 1.98 111.097 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.12 -37.67 61.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.42 111.381 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.0 mtt -59.91 -45.28 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 1.29 111.131 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -58.25 -20.76 44.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 3.39 111.637 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 92' ' ' ALA . 0.6 OUTLIER -76.88 -36.24 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.567 -0.288 . . . . 0.79 111.196 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.92 64.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 1.29 111.411 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -103.05 -49.12 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 2.85 110.648 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.82 10.35 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 1.64 111.318 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.504 ' O ' HG21 ' A' ' 77' ' ' VAL . 92.1 m-85 -113.99 -6.55 13.15 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.203 0.445 . . . . 1.13 112.203 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.834 0.349 . . . . 1.37 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.423 ' HB2' HD13 ' A' ' 15' ' ' LEU . 4.7 ptm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.654 0.264 . . . . 1.23 111.185 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.35 153.02 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.62 110.654 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -53.7 -27.85 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 0.65 110.632 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -33.73 64.87 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.056 -0.52 . . . . 2.82 110.716 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 11' ' ' MET . 0.4 OUTLIER -67.89 -40.86 83.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.449 . . . . 1.51 110.493 179.625 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.06 109.58 1.55 Allowed Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 115.969 -0.56 . . . . 0.93 110.75 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.22 132.55 52.61 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.348 2.032 . . . . 0.48 112.266 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.9 tp -60.41 -47.86 95.31 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.036 -0.529 . . . . 1.64 111.59 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 72.8 Cg_exo -50.06 -30.98 26.45 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.123 1.882 . . . . 0.59 112.47 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 t -86.14 -36.9 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.65 111.03 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.641 HH22 HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.78 -36.58 79.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 3.62 110.805 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.99 -17.81 19.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.037 -0.529 . . . . 0.48 111.564 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.34 -64.05 0.93 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.459 -0.337 . . . . 2.14 111.131 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.641 HD23 HH22 ' A' ' 21' ' ' ARG . 47.8 tp -70.45 -29.04 65.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 1.51 111.087 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.5 m -60.7 -46.2 91.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.393 . . . . 0.55 110.441 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.32 93.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.538 . . . . 0.52 110.835 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -59.12 -55.5 34.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.57 -0.741 . . . . 0.72 111.162 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.588 HD11 HD13 ' A' ' 89' ' ' LEU . 4.6 mm? -60.48 -46.37 90.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 1.09 111.254 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.04 -18.99 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 1.2 111.319 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.05 86.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.68 110.933 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.74 0.16 11.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 1.16 110.968 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.05 46.58 16.07 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.169 -0.469 . . . . 2.03 110.711 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.77 22.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.869 -0.605 . . . . 0.54 111.275 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.688 ' HA ' HD12 ' A' ' 37' ' ' LEU . 63.4 p-90 -58.23 -30.09 66.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.5 110.959 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.27 -28.27 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 2.32 110.882 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -72.28 -38.06 68.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 3.29 110.893 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.7 mt -60.93 -58.49 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.35 -0.386 . . . . 0.65 110.955 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.8 -58.1 6.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.41 111.617 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -60.93 -32.94 72.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.51 111.91 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.06 -34.39 65.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.768 0.318 . . . . 0.47 111.32 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.1 m -102.64 3.79 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.303 -0.408 . . . . 0.5 110.847 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.76 93.17 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.949 -0.569 . . . . 2.14 110.981 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -120.13 161.86 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 1.03 110.93 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 62.4 m-85 -69.47 136.71 88.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.41 110.465 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 47.7 Cg_exo -57.78 -18.05 32.29 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.472 2.114 . . . . 1.32 112.206 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.83 -34.66 62.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.504 . . . . 2.01 110.547 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.77 -38.82 45.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 1.94 110.468 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.526 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.7 t -63.76 -42.36 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 0.88 110.643 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -41.08 94.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.546 . . . . 2.44 110.575 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.03 -43.31 95.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.831 -0.622 . . . . 2.12 110.858 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 48' ' ' VAL . 20.6 mt -62.97 -49.64 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.47 111.246 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 t -53.76 -38.28 64.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 1.42 111.178 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -59.19 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.93 111.212 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.86 -31.2 70.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 2.48 111.199 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.5 ttmt -59.94 -40.74 89.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 1.77 110.952 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 3.02 111.289 -179.79 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.768 0.318 . . . . 1.51 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.543 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.31 -36.96 81.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.39 111.197 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.8 m -65.32 -40.47 93.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.66 110.769 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.47 -52.02 66.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 1.79 110.611 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.46 ' HB3' HG23 ' A' ' 51' ' ' ILE . 12.5 tp10 -65.21 -37.4 87.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 1.72 110.701 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.98 -46.59 84.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.066 -0.515 . . . . 0.5 110.662 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.91 -30.78 71.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.65 110.867 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -62.71 -64.04 1.04 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 1.48 110.941 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.76 -39.78 80.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.52 111.316 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -71.45 -18.44 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.63 110.673 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.24 56.21 0.49 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.946 -0.645 . . . . 1.08 112.499 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.47 -37.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 1.54 112.469 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.41 -26.95 26.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 1.99 110.787 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -111.9 -25.57 9.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 1.53 110.767 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 57.25 47.74 16.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 3.1 111.125 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -77.07 150.36 35.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 2.8 110.474 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.1 p -88.08 171.7 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.364 . . . . 1.17 111.205 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.4 m -63.03 -20.67 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 1.25 111.116 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.4 -54.47 43.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 2.24 110.66 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 m -55.6 -35.34 65.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.71 111.001 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 58.5 tp -61.13 -35.21 76.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.5 110.728 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -62.3 -52.77 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.73 110.87 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.01 -17.91 58.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.988 -0.551 . . . . 0.67 111.687 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 51.3 tp -65.75 -64.2 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.425 -0.352 . . . . 1.23 111.0 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.46 ' HB3' HD12 ' A' ' 89' ' ' LEU . 32.2 m-85 -58.57 -26.96 64.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.46 111.218 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -53.96 -25.35 20.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.244 -0.435 . . . . 1.59 111.112 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -58.44 -47.33 84.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 2.31 111.218 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -93.23 2.32 56.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.378 . . . . 1.57 111.107 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? 56.36 52.87 9.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 2.87 110.999 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 28' ' ' LEU . 2.6 mt -88.92 80.69 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.31 110.813 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -54.13 -29.54 45.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 1.84 111.138 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -72.58 -55.68 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 1.98 111.067 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.98 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.42 111.319 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.9 mtp -58.93 -56.0 27.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 1.29 111.003 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -57.46 -26.03 60.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.936 -0.574 . . . . 3.39 111.301 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.489 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.0 -34.61 78.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.43 -0.35 . . . . 0.79 111.335 -179.609 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.53 30.73 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 1.29 111.633 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.45 -18.48 29.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.348 . . . . 2.85 110.677 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -67.3 -5.66 15.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 1.64 111.118 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.23 -38.74 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 1.13 110.848 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 1.37 110.773 179.655 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.668 0.27 . . . . 1.23 110.859 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.65 154.85 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.62 111.175 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.565 HG21 ' HA3' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -55.1 -29.44 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.67 . . . . 0.65 110.927 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -55.64 -31.3 62.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.353 -0.385 . . . . 2.82 110.806 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.93 -38.38 61.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 1.51 110.741 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.76 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -52.33 113.13 3.98 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.083 -0.508 . . . . 0.93 110.878 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HB2' HG23 ' A' ' 20' ' ' VAL . 51.1 Cg_exo -54.17 124.15 15.29 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.369 2.046 . . . . 0.48 112.204 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.613 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -54.07 -49.73 88.28 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.117 -0.492 . . . . 1.64 111.758 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.9 Cg_endo -50.98 -27.77 22.15 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.329 2.019 . . . . 0.59 112.586 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.51 HG23 ' HB2' ' A' ' 17' ' ' PRO . 27.6 t -85.59 -37.54 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.65 110.944 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.76 ' HG2' HD12 ' A' ' 16' ' ' LEU . 1.7 mmp_? -61.13 -40.8 95.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 3.62 110.951 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -20.75 25.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.999 -0.546 . . . . 0.48 111.778 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -55.83 11.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.509 -0.314 . . . . 2.14 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 95' ' ' LEU . 42.8 tp -70.15 -34.41 72.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.375 . . . . 1.51 110.509 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.8 m -59.87 -38.38 82.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.55 110.282 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.96 95.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.52 110.608 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -60.86 -50.23 74.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.762 -0.653 . . . . 0.72 110.694 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -60.0 -22.23 62.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.799 -0.637 . . . . 1.09 111.121 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -72.63 -35.62 67.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 1.2 110.965 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.58 76.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.68 111.043 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mp -72.0 -10.96 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.16 111.086 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 54.46 34.88 21.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.139 -0.482 . . . . 2.03 110.81 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 m -108.04 26.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.54 111.245 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.68 ' HA ' HD12 ' A' ' 37' ' ' LEU . 31.5 p-90 -66.81 -38.14 85.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.5 110.945 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -29.12 70.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 2.32 111.035 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -71.89 -37.74 70.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 3.29 110.92 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.0 mt -61.42 -56.77 16.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.387 -0.369 . . . . 0.65 110.606 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.9 -58.46 5.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.982 -0.554 . . . . 0.41 111.531 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -60.32 -36.1 77.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.51 111.573 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.01 -34.9 66.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.848 0.356 . . . . 0.47 111.187 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.61 5.61 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.5 110.868 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 tptt 57.74 96.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.036 -0.529 . . . . 2.14 110.997 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mt -119.72 162.68 18.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 1.03 110.868 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 78.4 m-85 -69.88 135.2 87.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 1.41 110.685 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 36.1 Cg_exo -59.42 -21.05 59.45 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.503 2.135 . . . . 1.32 112.368 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -77.96 -26.0 48.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 2.01 110.636 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -78.04 -30.78 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 1.94 110.584 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.435 ' HA ' HD12 ' A' ' 51' ' ' ILE . 21.5 t -63.39 -41.07 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 0.88 110.668 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -40.82 94.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 2.44 110.795 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.99 -35.54 73.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 2.12 110.945 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 48' ' ' VAL . 23.8 mt -74.12 -56.28 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.47 111.339 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -53.0 -32.35 45.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 1.42 111.078 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 t -59.77 -68.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.93 111.153 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -62.75 -15.3 52.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 2.48 111.46 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.02 -58.27 9.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.475 -0.33 . . . . 1.77 111.337 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.35 -0.386 . . . . 3.02 111.405 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 1.51 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.55 -38.06 86.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.39 111.454 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.4 m -64.69 -32.08 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.66 111.337 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -60.84 -58.13 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 1.79 111.199 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -64.49 -37.12 86.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.72 110.767 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -57.85 -41.54 82.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.5 110.778 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -42.55 94.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.65 111.308 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -62.74 -42.61 99.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.333 -0.394 . . . . 1.48 111.541 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.0 mt -72.43 -51.07 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.52 111.72 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -70.75 -16.25 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.63 110.932 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.565 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -132.08 57.81 0.71 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 1.08 112.452 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.58 -45.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.737 -0.744 . . . . 1.54 112.587 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -102.19 -31.29 10.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.8 0.333 . . . . 1.99 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -95.07 -22.7 17.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 1.53 110.807 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t30 65.43 143.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.989 -0.551 . . . . 3.1 111.151 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.68 -156.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 2.8 110.853 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.548 ' HB ' ' HG2' ' A' ' 78' ' ' GLN . 0.6 OUTLIER -147.88 158.33 43.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.9 0.381 . . . . 1.17 111.198 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.492 HG11 HD23 ' A' ' 16' ' ' LEU . 19.2 m -64.85 -31.87 55.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.03 -0.532 . . . . 1.25 111.96 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.548 ' HG2' ' HB ' ' A' ' 76' ' ' THR . 7.2 pt20 -54.82 -49.26 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 2.24 111.049 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.1 m -55.92 -34.04 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.71 111.568 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.98 -39.23 88.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.5 111.143 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.36 -56.92 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.73 110.952 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.582 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -61.99 -17.43 57.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.67 111.57 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.8 tp -67.63 -54.85 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.41 -0.359 . . . . 1.23 111.509 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -57.62 -18.1 18.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.46 111.851 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.582 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mmtm -53.53 -41.67 66.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 1.59 110.988 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.46 -36.09 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 2.31 111.244 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 mt -92.37 -7.3 48.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 1.57 111.064 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.64 31.93 20.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 2.87 111.215 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 73.5 mt -89.43 70.47 8.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 1.31 110.715 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -54.34 -35.22 62.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 1.84 111.294 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.477 ' HA ' ' HG3' ' A' ' 94' ' ' ARG . 14.1 p-10 -58.8 -47.28 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 1.98 111.227 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.6 -43.34 72.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.442 . . . . 0.42 111.349 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.8 mtt -59.42 -33.7 71.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 1.29 111.367 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.477 ' HG3' ' HA ' ' A' ' 91' ' ' ASN . 3.5 mmm180 -58.63 -20.65 49.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 3.39 111.559 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.56 ' HB2' HD13 ' A' ' 24' ' ' LEU . 5.6 mp -85.11 -21.74 29.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.49 -0.323 . . . . 0.79 111.292 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.98 64.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 1.29 111.235 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 94' ' ' ARG . 4.0 mttp -104.58 -52.45 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 2.85 111.002 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.92 6.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.64 111.547 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.412 ' H ' ' C ' ' A' ' 97' ' ' LYS . 39.9 m-85 -108.73 -18.92 13.59 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.708 -0.224 . . . . 1.13 111.364 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 1.37 111.372 -179.723 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.739 0.304 . . . . 1.23 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.81 142.15 15.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.225 0.536 . . . . 0.62 111.351 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -57.53 -33.38 44.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.272 -0.876 . . . . 0.65 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -31.93 62.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.411 . . . . 2.82 110.9 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.44 -33.09 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 1.51 110.915 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 110.63 1.86 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.93 111.033 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.89 121.18 7.69 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.483 2.122 . . . . 0.48 112.46 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.604 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.9 tp -58.21 -48.75 96.46 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.026 -0.534 . . . . 1.64 111.792 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.5 Cg_endo -53.86 -24.68 32.19 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.102 1.868 . . . . 0.59 112.444 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -86.21 -42.55 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.403 -0.362 . . . . 0.65 110.706 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' NH1' HD22 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -60.34 -38.16 82.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 3.62 110.887 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.42 -22.43 31.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.48 111.743 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -67.41 -35.28 78.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 2.14 110.789 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.624 HD12 ' HB3' ' A' ' 95' ' ' LEU . 8.0 tt -90.6 -34.87 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 1.51 110.889 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.1 m -59.26 -40.94 87.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.55 110.445 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.07 97.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.961 -0.563 . . . . 0.52 110.85 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -62.4 -56.87 14.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.8 -0.636 . . . . 0.72 111.17 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.69 -42.74 89.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.977 -0.556 . . . . 1.09 111.223 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.08 -27.61 69.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 1.2 111.073 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.92 -36.72 80.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.68 110.913 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mp -72.26 -0.06 11.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 1.16 110.919 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 56.15 56.55 5.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.165 -0.471 . . . . 2.03 110.8 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.39 23.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.541 . . . . 0.54 111.221 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -58.81 -35.2 72.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.5 110.996 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -28.29 69.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 2.32 110.829 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.24 -32.12 66.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.015 -0.539 . . . . 3.29 110.427 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.698 HD23 HD21 ' A' ' 83' ' ' LEU . 1.4 mt -67.66 -56.68 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 0.65 110.348 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.33 -56.37 15.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.41 111.291 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.4 m -60.91 -32.63 72.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.51 111.667 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -55.57 -32.97 63.46 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.575 -0.284 . . . . 0.47 111.379 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' HG ' ' A' ' 43' ' ' LEU . 3.7 m -104.82 5.96 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.441 -0.345 . . . . 0.5 111.222 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt 57.14 94.16 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.079 -0.51 . . . . 2.14 111.11 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.547 HD11 ' HE1' ' A' ' 65' ' ' PHE . 81.3 mt -119.88 153.26 36.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 1.03 110.971 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' VAL . 94.2 m-85 -69.27 131.8 90.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.41 110.625 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.43 -13.28 16.27 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.456 2.104 . . . . 1.32 112.402 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -84.79 -36.35 21.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 2.01 110.829 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -37.63 41.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 1.94 110.762 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 44' ' ' TYR . 25.8 t -64.42 -23.4 33.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 0.88 110.967 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -30.5 68.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 2.44 110.811 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -59.82 -42.01 92.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 2.12 111.077 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.8 mt -70.29 -51.99 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.47 111.312 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 p -53.34 -24.67 12.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 1.42 111.181 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 56' ' ' GLN . 7.6 t -57.4 -67.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.93 110.704 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -62.3 -32.05 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 2.48 110.749 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -59.97 -21.43 61.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 1.77 111.2 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.335 -0.393 . . . . 3.02 111.531 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.828 0.347 . . . . 1.51 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.83 83.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.39 111.483 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 m -64.94 -37.06 86.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.327 -0.397 . . . . 0.66 111.163 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.41 -54.7 42.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 1.79 110.769 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.98 -37.68 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 1.72 110.582 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' HE1' HD11 ' A' ' 43' ' ' LEU . 21.5 t80 -56.32 -45.0 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.5 110.719 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -42.06 96.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.65 111.083 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -63.13 -27.63 69.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 1.48 111.73 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.06 -32.44 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.814 0.301 . . . . 0.52 111.814 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -72.77 -20.86 61.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.474 -0.33 . . . . 0.63 111.301 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.04 18.88 5.26 Favored Glycine 0 N--CA 1.454 -0.128 0 C-N-CA 120.686 -0.769 . . . . 1.08 112.57 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.57 -3.88 18.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 1.54 112.599 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -152.12 3.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 1.99 111.043 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -120.98 -29.33 4.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.428 . . . . 1.53 111.11 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.5 120.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.485 . . . . 3.1 110.843 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.23 -153.71 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 2.8 110.997 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.1 p -143.63 158.85 43.36 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.84 0.352 . . . . 1.17 111.154 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 99' ' ' TYR . 3.3 m -64.37 -14.11 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 1.25 111.743 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -54.97 40.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 2.24 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.4 m -55.37 -34.89 64.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.71 110.992 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.451 HD22 ' NH1' ' A' ' 21' ' ' ARG . 37.5 tp -60.84 -35.04 75.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.5 110.791 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -62.1 -60.46 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.73 111.056 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.65 -17.99 57.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.075 -0.512 . . . . 0.67 111.563 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.698 HD21 HD23 ' A' ' 37' ' ' LEU . 2.1 tp -65.19 -60.97 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 1.23 111.046 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -59.0 -32.13 69.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.456 -0.338 . . . . 0.46 111.025 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -26.67 28.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.191 -0.459 . . . . 1.59 111.496 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -57.99 -48.48 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 2.31 111.076 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.44 3.51 55.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 1.57 111.13 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt 56.51 53.29 8.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 2.87 111.108 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.76 79.29 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 1.31 110.672 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -34.3 57.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.937 -0.574 . . . . 1.84 111.373 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -64.31 -58.96 5.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 1.98 111.063 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.59 -33.36 60.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.42 111.33 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.3 mmm -59.7 -59.08 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.29 111.831 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -56.22 -24.66 43.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.587 -0.279 . . . . 3.39 111.577 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -67.26 -35.81 80.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 0.79 110.833 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.2 pt -121.9 40.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.309 -0.405 . . . . 1.29 111.062 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -99.99 54.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 2.85 111.117 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -172.91 8.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 1.64 111.775 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.508 ' O ' HG21 ' A' ' 77' ' ' VAL . 22.9 m-85 -115.07 -0.91 13.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.808 0.337 . . . . 1.13 110.918 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 1.37 111.103 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 77' ' ' VAL . 3.3 ptm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.653 0.263 . . . . 1.23 110.823 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.528 ' HA ' HG22 ' A' ' 76' ' ' THR . . . -51.55 157.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.62 111.15 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -56.97 -27.83 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.65 110.685 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.24 -32.64 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 2.82 110.473 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.73 -37.25 85.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.948 -0.569 . . . . 1.51 110.496 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.57 108.61 1.13 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.084 -0.507 . . . . 0.93 110.697 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.0 115.14 2.22 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.344 2.03 . . . . 0.48 112.204 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.6 tp -54.55 -49.81 88.95 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.201 -0.454 . . . . 1.64 111.761 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.1 Cg_endo -51.75 -29.19 32.93 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.144 1.896 . . . . 0.59 111.973 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -86.21 -34.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.052 -0.522 . . . . 0.65 110.465 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.614 HH12 HG21 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -60.5 -34.39 74.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 3.62 110.608 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -25.35 48.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.672 . . . . 0.48 111.521 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.63 -47.82 68.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.407 -0.36 . . . . 2.14 110.637 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD23 HH22 ' A' ' 21' ' ' ARG . 41.6 tp -75.12 -26.05 58.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 1.51 110.65 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.0 m -61.77 -42.62 99.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.55 110.361 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.68 88.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.578 . . . . 0.52 110.658 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -59.65 -54.99 39.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.72 110.535 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.719 HD22 HD11 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -59.82 -29.36 68.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.963 -0.562 . . . . 1.09 110.983 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -37.42 87.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 1.2 110.845 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.93 78.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.68 110.971 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -15.51 62.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 1.16 110.848 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 54.83 35.08 23.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 2.03 111.057 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -107.43 23.66 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.54 111.144 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.642 ' HA ' HD12 ' A' ' 37' ' ' LEU . 52.0 p-90 -63.89 -36.43 83.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.5 110.76 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -63.26 -32.27 73.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 2.32 110.829 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.11 -32.25 66.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 3.29 111.076 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.719 HD11 HD22 ' A' ' 28' ' ' LEU . 34.1 mt -61.33 -52.44 64.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.65 110.402 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.9 -60.93 2.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.41 111.225 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -32.35 71.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.51 111.497 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.3 67.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.436 -0.347 . . . . 0.47 111.284 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.462 HG11 ' CZ2' ' A' ' 69' ' ' TRP . 1.5 m -103.66 6.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.384 -0.371 . . . . 0.5 111.051 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 101.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.111 -0.495 . . . . 2.14 111.12 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt -136.46 161.33 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 1.03 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 56.7 m-85 -69.76 139.97 88.87 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 1.41 110.602 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 39.7 Cg_exo -58.78 -20.04 49.64 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.374 2.049 . . . . 1.32 111.952 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.96 -29.29 67.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.494 . . . . 2.01 110.454 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -77.87 -38.81 45.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 1.94 110.594 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.624 ' HA ' HD12 ' A' ' 51' ' ' ILE . 10.2 t -63.98 -43.75 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.88 110.792 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -36.2 78.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 2.44 110.684 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -42.18 94.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 2.12 110.833 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 48' ' ' VAL . 8.2 mt -66.4 -53.55 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.47 111.247 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -29.11 40.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 1.42 111.359 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -68.82 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.93 111.166 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.01 -32.21 72.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 2.48 110.986 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -58.79 -30.44 67.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 1.77 110.837 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 3.02 111.104 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.803 0.335 . . . . 1.51 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.93 -33.1 72.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.39 111.141 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 m -64.8 -38.0 89.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.66 110.872 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -48.1 83.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 1.79 110.854 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.6 ' HB2' HG23 ' A' ' 51' ' ' ILE . 10.5 mm-40 -65.16 -42.02 94.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 1.72 110.666 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -57.61 -47.93 80.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.5 110.695 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.457 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 1.9 mm? -64.64 -28.89 69.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.65 110.999 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.96 -47.96 78.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 1.48 111.627 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.1 mt -79.55 -46.46 22.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.394 -0.366 . . . . 0.52 111.738 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.462 ' CZ2' HG11 ' A' ' 41' ' ' VAL . 27.0 t90 -70.53 -19.73 62.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.63 111.068 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -120.66 94.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.69 -0.767 . . . . 1.08 112.524 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.12 -10.89 3.87 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.884 -0.674 . . . . 1.54 112.457 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -123.77 -18.45 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 1.99 110.816 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -106.75 -9.47 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 1.53 111.092 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 55.63 50.54 14.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 3.1 110.919 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.603 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -77.47 -160.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 2.8 110.959 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 12' ' ' ALA . 28.8 p -147.01 159.56 43.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.321 -0.4 . . . . 1.17 110.983 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 11' ' ' MET . 19.4 t -63.43 -27.94 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 1.25 111.171 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.56 -50.73 71.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 2.24 111.039 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.1 m -55.27 -34.28 63.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.71 111.366 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.48 -43.6 98.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.5 111.109 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.483 ' HB2' HG11 ' A' ' 100' ' ' VAL . 12.9 t80 -60.29 -59.24 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.73 111.118 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.48 -19.95 62.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.67 111.689 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 tp -66.35 -55.59 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 1.23 110.993 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -57.6 -28.77 63.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.46 111.157 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -37.67 63.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.277 -0.42 . . . . 1.59 111.097 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.53 -40.4 82.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 2.31 111.114 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.33 -4.42 48.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 1.57 111.058 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.87 54.43 8.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.166 -0.47 . . . . 2.87 111.041 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.5 mt -89.65 82.43 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 1.31 111.031 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -54.96 -24.31 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 1.84 111.011 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -51.03 8.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 1.98 111.1 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.57 -40.85 65.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 0.42 110.993 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.8 mtm -59.56 -61.94 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.29 110.764 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 94' ' ' ARG . 6.3 ptp180 -59.46 -13.67 9.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 3.39 111.2 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.432 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -78.24 -32.74 49.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 0.79 110.9 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.614 HG21 HH12 ' A' ' 21' ' ' ARG . 0.7 OUTLIER -126.31 48.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.376 -0.375 . . . . 1.29 111.305 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 7.4 pttp -98.79 75.69 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 2.85 110.839 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -174.56 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 1.64 111.191 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -102.01 0.51 35.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.771 0.32 . . . . 1.13 110.836 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.483 HG11 ' HB2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 1.37 110.984 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.0 ptt? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.733 0.301 . . . . 1.23 110.938 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.27 149.15 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.62 111.177 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' A' ' 75' ' ' HIS . 0.4 OUTLIER -60.54 -23.64 29.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.976 -0.556 . . . . 0.65 110.842 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -14.57 4.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 2.82 110.865 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.05 -30.24 13.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.44 . . . . 1.51 110.189 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.89 106.72 0.69 Allowed Pre-proline 0 C--O 1.231 0.113 0 CA-C-N 115.997 -0.547 . . . . 0.93 110.278 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.92 115.77 3.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.543 2.162 . . . . 0.48 112.484 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.615 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.1 mt -53.95 -49.8 87.6 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.794 -0.639 . . . . 1.64 111.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 8.0 Cg_endo -49.78 -30.13 22.17 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.231 1.954 . . . . 0.59 112.277 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.9 t -86.47 -36.36 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.65 110.698 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.512 HH12 HG21 ' A' ' 96' ' ' ILE . 2.9 tpt180 -60.14 -27.13 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.929 -0.578 . . . . 3.62 110.865 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.14 -24.32 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 0.48 111.308 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.56 -44.87 77.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 2.14 111.357 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.932 HD23 HD13 ' A' ' 95' ' ' LEU . 2.5 tm? -83.47 -26.65 30.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.436 -0.347 . . . . 1.51 111.186 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 m -58.82 -45.82 89.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.954 0.407 . . . . 0.55 110.588 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.0 99.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.52 110.821 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.53 ' HB3' HD22 ' A' ' 24' ' ' LEU . 77.5 t60 -58.4 -56.74 18.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.443 -0.799 . . . . 0.72 111.127 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 37' ' ' LEU . 2.7 mm? -60.03 -34.62 73.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 1.09 110.993 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -64.31 -35.19 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.51 . . . . 1.2 110.859 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.61 76.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.68 110.999 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.57 -12.12 61.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 1.16 110.752 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t0 54.73 43.26 30.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.057 -0.52 . . . . 2.03 110.925 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -118.4 22.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.54 111.265 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.804 ' HA ' HD12 ' A' ' 37' ' ' LEU . 26.7 p-90 -59.84 -37.35 78.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.5 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -35.79 81.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 2.32 111.002 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 2.2 mt-30 -72.3 -8.98 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 3.29 111.036 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 34' ' ' TRP . 11.7 mt -92.98 -58.65 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 0.65 109.996 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -55.21 24.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.574 . . . . 0.41 110.927 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 m -61.19 -33.4 73.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.971 -0.559 . . . . 0.51 111.503 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -55.28 -34.95 64.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.406 -0.361 . . . . 0.47 111.383 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.4 m -103.2 4.97 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.5 110.949 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.93 103.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.867 -0.606 . . . . 2.14 111.325 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 mt -130.97 164.5 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.03 110.791 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.418 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 18.5 m-85 -69.06 158.06 87.54 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 1.41 110.687 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 44' ' ' TYR . 82.8 Cg_endo -72.77 -31.24 10.65 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.454 2.103 . . . . 1.32 111.795 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 50' ' ' GLN . 10.4 m-20 -63.63 -28.16 69.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.878 -0.601 . . . . 2.01 110.35 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -78.22 -43.92 27.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 1.94 110.558 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.481 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.8 t -63.91 -49.84 80.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.88 110.465 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.64 -33.79 73.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 2.44 110.318 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -58.02 -42.95 86.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.904 -0.589 . . . . 2.12 110.734 179.513 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 48' ' ' VAL . 6.7 mt -68.7 -43.37 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.47 110.867 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.5 t -54.93 -25.44 29.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 1.42 111.298 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -57.51 -69.04 0.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.328 -0.397 . . . . 0.93 110.952 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.26 -39.17 93.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 2.48 110.896 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -22.99 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 1.77 111.119 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 3.02 111.598 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.82 0.343 . . . . 1.51 110.951 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.38 80.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.39 111.295 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -64.86 -35.9 82.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.66 111.034 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -52.12 66.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 1.79 110.517 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -66.57 -35.29 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.399 . . . . 1.72 110.39 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -57.94 -49.97 74.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 0.5 110.901 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.38 -32.96 74.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.65 110.959 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.57 -17.67 63.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 1.48 111.159 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.04 -50.53 9.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.4 -0.364 . . . . 0.52 111.517 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -71.58 -12.36 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.63 110.958 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.22 98.33 0.66 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.762 -0.732 . . . . 1.08 112.653 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.29 -22.5 3.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 1.54 112.769 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -106.45 -32.76 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.708 0.29 . . . . 1.99 111.121 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -99.12 -17.92 17.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.53 111.154 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 m120 56.34 53.84 8.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.03 0.443 . . . . 3.1 110.613 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.495 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -76.59 -163.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 2.8 110.873 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.5 p -141.71 162.95 34.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.338 . . . . 1.17 111.006 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.61 -13.81 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 1.25 111.283 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.15 -63.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.411 . . . . 2.24 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.8 m -54.22 -30.9 51.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 0.71 111.355 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.472 HD21 HH22 ' A' ' 21' ' ' ARG . 59.0 tp -60.57 -47.49 85.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.5 110.83 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -61.98 -53.75 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.73 110.918 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.43 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -61.33 -22.67 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.67 111.637 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.3 tp -67.03 -50.13 62.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 1.23 111.018 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -58.98 -22.98 61.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.46 111.558 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.43 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -54.45 -21.41 9.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.509 -0.314 . . . . 1.59 111.389 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -58.77 -61.71 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 2.31 111.223 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.66 2.79 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 1.57 110.887 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm 52.97 66.67 1.16 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 2.87 110.105 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 89' ' ' LEU . 4.6 mp -88.19 89.21 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 1.31 110.899 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -53.48 -48.45 68.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 1.84 111.583 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -59.66 -55.87 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 1.98 111.38 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.75 -38.03 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 0.42 111.387 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 mtm -60.02 -64.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 1.29 111.441 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.59 ' HA ' ' HG3' ' A' ' 97' ' ' LYS . 6.2 ptm180 -58.26 -17.99 23.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.271 -0.422 . . . . 3.39 111.673 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.932 HD13 HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -68.72 -32.14 71.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.553 -0.294 . . . . 0.79 111.214 -179.651 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.512 HG21 HH12 ' A' ' 21' ' ' ARG . 1.3 pp -127.69 32.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 1.29 111.437 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HG3' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -66.66 -51.68 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.385 . . . . 2.85 110.967 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.99 13.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 1.64 111.816 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.444 ' H ' ' C ' ' A' ' 97' ' ' LYS . 43.4 m-85 -113.24 -13.37 12.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.587 0.232 . . . . 1.13 111.428 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 97' ' ' LYS . 16.0 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 1.37 111.174 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.852 0.358 . . . . 1.23 111.066 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.32 164.39 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.068 -0.514 . . . . 0.62 111.198 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -24.07 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.788 -0.642 . . . . 0.65 110.624 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -31.22 62.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.176 -0.466 . . . . 2.82 110.216 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.06 -39.3 50.35 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.839 -0.619 . . . . 1.51 109.587 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.97 106.94 0.73 Allowed Pre-proline 0 C--O 1.231 0.103 0 CA-C-N 115.617 -0.72 . . . . 0.93 110.302 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.92 102.37 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.454 2.103 . . . . 0.48 112.198 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.404 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -54.09 -48.38 94.31 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 115.863 -0.608 . . . . 1.64 111.919 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 84.9 Cg_exo -46.82 -33.3 13.8 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.225 1.95 . . . . 0.59 112.424 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 t -86.79 -42.75 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.65 110.672 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -60.27 -20.34 58.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 3.62 110.563 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.89 -23.38 44.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.617 -0.72 . . . . 0.48 111.424 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -67.22 -34.35 77.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 2.14 110.381 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD13 HD22 ' A' ' 95' ' ' LEU . 42.9 tp -79.37 -34.22 42.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.038 -0.528 . . . . 1.51 110.571 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.5 m -60.42 -48.39 81.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.032 0.444 . . . . 0.55 110.173 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.12 -38.56 86.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.806 -0.634 . . . . 0.52 110.493 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.17 -54.15 50.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.495 -0.775 . . . . 0.72 110.726 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.8 -31.0 69.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.839 -0.618 . . . . 1.09 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.41 -28.59 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 1.2 110.991 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.39 69.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.68 111.101 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -14.77 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 1.16 111.041 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 56.59 66.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 2.03 111.025 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 m -135.42 25.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.54 111.023 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.571 ' HA ' HD12 ' A' ' 37' ' ' LEU . 27.0 p-90 -60.58 -37.67 82.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.04 -0.527 . . . . 0.5 110.952 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -31.53 72.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 2.32 110.765 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -71.71 -31.67 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 3.29 110.687 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.7 mt -62.95 -58.74 6.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.65 110.478 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 -57.12 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.41 111.462 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -60.52 -32.12 71.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.51 111.882 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.08 -34.68 63.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.76 0.314 . . . . 0.47 111.051 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.612 HG13 HD13 ' A' ' 83' ' ' LEU . 2.9 m -105.42 2.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.5 110.688 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.75 97.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.796 -0.638 . . . . 2.14 111.209 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 mt -125.16 167.63 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 1.03 111.154 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 48' ' ' VAL . 34.8 m-85 -69.74 160.91 77.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 1.41 110.618 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -72.03 -37.05 5.18 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.432 2.088 . . . . 1.32 111.982 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.77 -24.87 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.943 -0.571 . . . . 2.01 110.623 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -79.3 -49.98 11.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 1.94 110.723 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.624 ' HA ' HD12 ' A' ' 51' ' ' ILE . 3.0 t -64.12 -48.94 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.88 110.836 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.63 -37.61 79.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 2.44 110.504 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.93 -35.15 68.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.064 -0.516 . . . . 2.12 110.653 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 48' ' ' VAL . 15.5 mt -71.38 -37.91 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.47 110.97 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 t -53.73 -39.05 64.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 1.42 111.15 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.0 m -59.74 -62.89 1.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.93 110.859 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -62.48 -19.14 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.033 -0.53 . . . . 2.48 111.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 19.6 ttpp -61.81 -61.75 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 1.77 111.23 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.178 -0.464 . . . . 3.02 111.387 -179.645 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.869 0.366 . . . . 1.51 110.901 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB2' ' HD2' ' A' ' 55' ' ' LYS . . . -61.04 -51.02 70.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.39 111.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -32.95 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.66 110.842 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -55.61 31.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 1.79 110.669 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.599 ' HB3' HG23 ' A' ' 51' ' ' ILE . 19.9 tp10 -64.81 -35.58 81.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 1.72 110.468 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.04 -48.22 80.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.834 -0.621 . . . . 0.5 110.846 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.52 -29.5 70.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.65 110.983 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -63.35 -17.61 62.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 1.48 111.254 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.9 mt -108.97 -52.4 6.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.52 111.536 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -70.7 -40.89 72.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.453 -0.34 . . . . 0.63 110.831 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.64 71.77 1.1 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.884 -0.675 . . . . 1.08 112.312 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 174.62 -62.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.84 -0.695 . . . . 1.54 112.276 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -70.74 -20.39 62.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 1.99 110.729 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -95.6 -19.67 19.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.006 -0.543 . . . . 1.53 110.854 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 57.16 38.16 28.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 3.1 110.767 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.36 150.06 35.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 2.8 110.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.9 p -89.35 168.16 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 1.17 111.065 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.77 -20.4 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 1.25 111.07 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -59.48 -57.56 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 2.24 110.99 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 m -54.93 -33.96 62.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.71 111.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.8 tp -60.42 -39.46 87.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.5 110.897 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.06 -50.36 72.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.73 110.868 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.65 -25.55 67.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.67 111.478 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.612 HD13 HG13 ' A' ' 41' ' ' VAL . 22.0 tp -65.66 -54.07 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 1.23 111.05 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -58.32 -28.96 65.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.36 . . . . 0.46 111.173 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -38.81 63.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 1.59 110.705 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -60.02 -38.86 83.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 2.31 110.849 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.413 ' C ' ' HG2' ' A' ' 88' ' ' LYS . 3.6 mm? -92.52 14.96 15.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.123 -0.489 . . . . 1.57 110.936 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 87' ' ' LEU . 2.3 ptpt 39.32 45.3 1.17 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.987 -0.551 . . . . 2.87 111.643 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.48 HD13 HD11 ' A' ' 28' ' ' LEU . 43.1 mt -90.07 70.94 7.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.111 -0.495 . . . . 1.31 110.855 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.42 -33.53 54.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 1.84 111.154 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -55.07 12.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 1.98 111.174 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.42 35.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.42 111.5 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.2 mtt -59.71 -61.16 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 1.29 111.264 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.564 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 1.4 ptm180 -58.31 -18.26 25.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.28 -0.418 . . . . 3.39 111.393 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.561 HD22 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -71.15 -30.85 66.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.79 111.236 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.417 HG23 HD22 ' A' ' 24' ' ' LEU . 1.2 pt -116.69 7.5 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 1.29 111.486 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.564 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -70.44 -20.55 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 2.85 110.828 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -5.11 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 1.64 111.456 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -107.81 -41.13 5.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.553 -0.294 . . . . 1.13 111.233 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 1.37 110.858 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.349 . . . . 1.23 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.58 137.71 24.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.62 111.231 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.559 ' HA ' HD23 ' A' ' 16' ' ' LEU . 11.8 mt -53.99 -27.41 16.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.744 -0.662 . . . . 0.65 110.965 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.56 -30.42 60.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.338 -0.392 . . . . 2.82 110.872 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.83 -28.59 33.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 1.51 111.119 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 13' ' ' ILE . 3.5 mm? -52.66 117.72 11.5 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.279 -0.419 . . . . 0.93 110.714 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.55 122.2 10.86 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.563 2.175 . . . . 0.48 112.743 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.631 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -74.48 -49.03 5.2 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.889 -0.596 . . . . 1.64 111.65 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.3 Cg_endo -53.34 -26.62 35.69 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.261 1.974 . . . . 0.59 112.693 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.0 t -85.85 -46.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.65 110.76 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -61.42 -14.39 27.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 3.62 110.885 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.0 -31.37 63.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.48 111.166 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.94 80.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 2.14 110.836 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.734 HD12 ' HB3' ' A' ' 95' ' ' LEU . 3.1 tt -72.75 -40.62 65.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 1.51 110.799 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.7 m -59.97 -45.42 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 0.55 110.025 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.16 89.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.72 -0.673 . . . . 0.52 110.64 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -60.4 -54.55 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.568 -0.742 . . . . 0.72 110.81 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD23 HD23 ' A' ' 24' ' ' LEU . 4.1 mm? -59.83 -32.65 70.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.806 -0.634 . . . . 1.09 111.168 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -61.33 -33.13 73.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 1.2 110.965 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.72 79.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.68 111.107 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -12.26 61.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 1.16 111.025 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 54.9 34.57 22.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 2.03 111.219 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.36 22.6 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.54 111.076 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -64.05 -36.74 84.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.5 111.089 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.24 -32.56 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 2.32 110.791 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -71.87 -27.74 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 3.29 110.812 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -65.29 -57.08 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.65 110.364 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.18 -55.75 16.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.939 -0.573 . . . . 0.41 111.055 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -60.79 -33.8 73.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.966 -0.561 . . . . 0.51 111.501 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.33 -35.12 64.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.38 . . . . 0.47 111.378 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -105.76 6.32 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 0.5 111.096 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.4 85.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.045 -0.525 . . . . 2.14 110.841 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.41 163.93 14.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 1.03 111.027 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -69.98 131.0 89.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 1.41 110.666 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.3 -21.47 44.34 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.45 2.1 . . . . 1.32 112.199 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -33.41 75.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 2.01 110.685 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -77.46 -34.29 54.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 1.94 110.664 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.701 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.7 t -63.72 -36.65 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.88 111.001 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.36 -46.77 88.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 2.44 111.058 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -37.79 78.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 2.12 111.286 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 48' ' ' VAL . 24.9 mt -63.9 -62.62 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.432 -0.349 . . . . 0.47 111.115 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -53.18 -28.4 26.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.203 -0.453 . . . . 1.42 111.081 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -58.63 -65.82 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 0.93 110.907 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.92 -33.73 74.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 2.48 110.84 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.7 tmmt? -59.59 -22.15 61.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 1.77 111.064 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 3.02 111.477 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . 1.3 m . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 121.043 0.449 . . . . 1.51 110.856 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -60.29 -37.72 81.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.39 111.505 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.8 m -64.82 -37.02 86.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.66 111.038 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.531 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 2.4 t-20 -61.39 -53.88 50.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.79 110.852 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -64.61 -37.0 86.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.72 110.581 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.77 -48.66 79.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.5 110.776 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.98 -36.36 83.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.65 111.031 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -62.81 -21.89 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 1.48 111.414 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.8 mt -97.32 -53.43 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.43 -0.35 . . . . 0.52 111.397 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -71.27 -54.02 12.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.63 110.756 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.408 ' CA ' HG21 ' A' ' 13' ' ' ILE . . . -88.76 91.41 1.72 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.783 -0.722 . . . . 1.08 112.382 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 157.18 -49.27 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.822 -0.704 . . . . 1.54 112.394 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -86.39 -47.32 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 1.99 110.682 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -70.14 -20.13 63.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 1.53 110.605 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.0 t30 57.02 53.17 8.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 3.1 111.052 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -78.37 177.68 8.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 2.8 110.957 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.5 p -98.49 159.35 15.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.799 -0.637 . . . . 1.17 111.398 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.413 HG22 HD21 ' A' ' 16' ' ' LEU . 2.5 t -64.94 -32.57 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 1.25 111.014 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -59.81 -42.77 94.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.029 -0.532 . . . . 2.24 111.188 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -45.37 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.71 111.19 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.45 HD23 HD13 ' A' ' 96' ' ' ILE . 64.9 tp -61.78 -40.57 95.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.5 111.289 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.93 -58.65 7.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.73 111.299 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.36 -23.54 64.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.67 111.415 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.58 -45.7 78.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.23 110.973 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -58.64 -35.57 72.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.46 111.041 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -53.36 -29.19 33.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 1.59 111.302 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -45.41 87.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 2.31 110.813 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.9 mt -94.14 3.88 54.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 1.57 111.028 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 56.95 48.45 15.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 2.87 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.487 HD13 HD11 ' A' ' 28' ' ' LEU . 5.0 mt -90.09 75.69 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.31 110.874 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.0 -29.2 42.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 1.84 111.082 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -70.38 -53.58 16.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 1.98 110.86 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.86 -34.21 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.42 111.32 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.0 mtm -60.04 -63.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 1.29 111.442 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -16.2 10.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.197 -0.456 . . . . 3.39 111.653 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.734 ' HB3' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -70.94 -40.57 71.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.743 0.306 . . . . 0.79 110.857 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.45 HD13 HD23 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -126.72 54.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 1.29 111.145 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.552 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -90.5 -39.77 12.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 2.85 111.069 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.5 3.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 1.64 111.401 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -108.9 -10.42 15.09 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.794 0.294 . . . . 1.13 111.794 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.671 0.272 . . . . 1.37 111.017 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.861 0.362 . . . . 1.23 110.948 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.04 145.26 10.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.62 111.174 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.44 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.8 mt -53.54 -28.1 15.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 0.65 110.758 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -41.03 69.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 2.82 110.622 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -38.39 90.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 1.51 110.676 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.674 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.42 110.69 1.92 Allowed Pre-proline 0 C--O 1.232 0.164 0 CA-C-N 116.144 -0.48 . . . . 0.93 110.825 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.13 123.94 15.06 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.521 2.147 . . . . 0.48 112.454 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.437 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -59.31 -47.04 98.97 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.054 -0.521 . . . . 1.64 111.537 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 77.2 Cg_exo -48.37 -32.1 19.24 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.255 1.97 . . . . 0.59 112.478 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.561 HG11 ' OH ' ' A' ' 99' ' ' TYR . 45.9 t -84.92 -33.08 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.65 110.624 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.674 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -58.12 -36.93 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.984 -0.553 . . . . 3.62 110.793 179.454 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.04 46.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 0.48 111.598 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.78 -44.97 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.431 -0.35 . . . . 2.14 110.943 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.621 HD23 HD13 ' A' ' 95' ' ' LEU . 2.6 tm? -80.63 -33.36 35.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 1.51 110.781 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.1 m -59.27 -43.0 92.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.55 110.332 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.99 97.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.883 -0.599 . . . . 0.52 110.733 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -60.44 -52.75 63.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 0.72 111.46 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.498 HD23 ' CD1' ' A' ' 24' ' ' LEU . 4.1 mm? -59.04 -52.65 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 1.09 111.391 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.75 -20.67 66.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 1.2 111.28 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.44 -35.75 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.68 110.782 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -0.64 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 1.16 110.854 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.12 49.64 11.16 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.055 -0.52 . . . . 2.03 110.695 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.96 26.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.54 111.329 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.603 ' HA ' HD12 ' A' ' 37' ' ' LEU . 56.4 p-90 -58.34 -29.04 65.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.921 0.391 . . . . 0.5 110.598 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -62.8 -30.5 71.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.57 . . . . 2.32 110.75 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -71.22 -40.39 71.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.905 -0.589 . . . . 3.29 110.952 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 34' ' ' TRP . 11.0 mt -56.91 -54.79 42.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.65 110.792 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.23 -64.81 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.41 111.575 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -60.07 -25.54 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.51 112.094 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -54.0 -36.26 62.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.916 0.388 . . . . 0.47 110.719 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -4.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.988 -0.551 . . . . 0.5 110.033 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.46 97.68 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.345 -0.843 . . . . 2.14 111.546 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.75 163.1 25.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 1.03 110.656 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -69.26 137.63 89.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 1.41 110.277 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.79 -13.72 9.17 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.554 2.169 . . . . 1.32 112.509 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.5 -36.81 83.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 2.01 110.568 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -78.21 -37.65 44.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 1.94 110.487 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 51' ' ' ILE . 5.2 t -64.12 -33.08 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.88 111.028 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.8 -44.92 96.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 2.44 110.952 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.95 -31.14 69.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 2.12 110.809 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 48' ' ' VAL . 20.5 mt -76.22 -55.17 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.47 111.284 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.7 p -53.77 -40.25 66.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 1.42 111.395 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -64.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.93 111.308 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -60.78 -26.86 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 2.48 111.197 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -60.5 -35.54 76.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 1.77 110.947 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 3.02 111.254 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' ' 63' ' ' ASN . 70.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.761 0.315 . . . . 1.51 110.824 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.69 80.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.39 111.204 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -65.3 -36.88 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.66 110.898 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.48 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 0.9 OUTLIER -60.6 -52.57 64.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 1.79 110.839 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -64.65 -38.38 90.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 1.72 110.523 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -57.6 -46.52 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.5 110.738 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.91 -33.94 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.65 111.325 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -63.44 -32.59 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 1.48 111.734 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.0 mt -91.52 -40.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.495 -0.32 . . . . 0.52 111.753 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.7 t90 -71.5 -21.58 61.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.63 111.105 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -111.09 72.57 0.21 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.708 -0.758 . . . . 1.08 112.469 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.57 -67.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.55 -0.833 . . . . 1.54 112.595 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -71.17 -13.12 61.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.672 0.272 . . . . 1.99 111.159 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -111.28 -25.6 9.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 1.53 110.91 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 t30 55.6 53.05 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 3.1 111.061 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -162.57 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 2.8 110.713 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.9 p -142.88 166.76 23.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.824 0.345 . . . . 1.17 111.014 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -63.87 -13.7 13.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 1.25 111.474 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -60.25 -67.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 2.24 110.821 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 m -55.14 -33.89 63.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.71 110.993 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 50.4 tp -60.94 -40.08 91.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 0.5 110.763 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.02 -52.27 63.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.027 -0.533 . . . . 0.73 111.106 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -17.29 57.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.67 111.903 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 24.9 tp -65.4 -57.13 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.618 -0.265 . . . . 1.23 111.012 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -58.39 -28.2 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.46 111.066 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.99 -33.33 56.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 1.59 111.255 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -58.23 -41.86 85.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 2.31 111.148 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.419 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -92.2 -0.26 57.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 1.57 111.038 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mttt 55.86 46.19 22.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 2.87 110.824 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.419 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 18.0 mt -89.13 83.04 6.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 1.31 110.85 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -15.01 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 1.84 111.477 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.03 -48.68 8.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 1.98 111.05 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.46 71.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.42 111.638 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.542 ' HG3' ' H ' ' A' ' 94' ' ' ARG . 10.7 ptp -59.83 -58.81 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.511 -0.313 . . . . 1.29 111.303 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.542 ' H ' ' HG3' ' A' ' 93' ' ' MET . 5.5 ptp180 -59.16 -15.77 16.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.394 -0.366 . . . . 3.39 111.25 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.621 HD13 HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -72.75 -40.9 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.79 111.07 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.15 43.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.359 -0.382 . . . . 1.29 111.321 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.4 ptpt -88.49 -33.0 17.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 2.85 110.829 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.08 2.16 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 1.64 111.51 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.561 ' OH ' HG11 ' A' ' 20' ' ' VAL . 92.7 m-85 -111.29 -8.32 14.36 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.935 0.346 . . . . 1.13 111.935 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.672 0.272 . . . . 1.37 111.054 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.449 ' O ' HG23 ' A' ' 77' ' ' VAL . 4.0 ptm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.715 0.293 . . . . 1.23 110.839 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.55 153.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.62 110.754 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.637 ' H ' ' HB2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -51.88 -26.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.65 110.903 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -54.16 -39.03 66.17 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.315 -0.402 . . . . 2.82 110.477 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -47.24 67.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.522 . . . . 1.51 110.033 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.572 HD13 ' HD2' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -53.3 112.47 3.66 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.86 -0.609 . . . . 0.93 110.76 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.572 ' HD2' HD13 ' A' ' 16' ' ' LEU . 75.5 Cg_exo -50.27 111.24 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.31 2.007 . . . . 0.48 112.305 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.615 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -53.95 -48.85 92.53 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.039 -0.528 . . . . 1.64 111.734 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.2 Cg_endo -51.96 -26.03 23.76 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.199 1.933 . . . . 0.59 112.22 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.57 -41.62 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.65 110.477 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.503 HH12 HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -58.41 -33.88 70.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 3.62 110.69 179.342 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.85 -28.28 63.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 0.48 111.329 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.95 -47.98 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 2.14 110.805 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' A' ' 95' ' ' LEU . 8.0 tt -69.82 -41.17 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 1.51 110.754 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.7 m -57.86 -40.78 80.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.55 110.297 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.17 98.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.851 -0.613 . . . . 0.52 110.779 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -62.44 -60.34 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.663 -0.699 . . . . 0.72 111.396 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 92' ' ' ALA . 4.0 mm? -58.45 -43.52 88.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.902 -0.59 . . . . 1.09 111.606 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.12 -29.72 70.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 1.2 111.199 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.11 -27.8 67.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.38 . . . . 0.68 110.876 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.94 0.85 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.525 . . . . 1.16 110.935 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.79 48.05 11.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.126 -0.488 . . . . 2.03 110.788 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.6 22.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.54 111.297 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.757 ' HA ' HD12 ' A' ' 37' ' ' LEU . 47.6 p-90 -60.72 -29.21 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.5 110.815 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -26.11 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 2.32 110.986 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -41.4 67.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 3.29 110.935 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' A' ' 34' ' ' TRP . 3.1 mt -59.63 -55.47 33.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.897 0.38 . . . . 0.65 110.566 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.96 -59.47 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.41 111.588 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -60.01 -32.33 70.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.13 -0.486 . . . . 0.51 111.717 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.76 -36.27 64.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.514 -0.312 . . . . 0.47 111.324 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 m -107.38 8.53 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 0.5 111.12 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.87 102.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.085 -0.507 . . . . 2.14 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mt -127.19 152.43 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.03 111.091 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -69.96 133.05 88.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 1.41 110.726 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.64 -29.18 78.5 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.415 2.077 . . . . 1.32 112.227 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -31.27 72.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 2.01 110.372 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -77.86 -29.73 50.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 1.94 110.176 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 51' ' ' ILE . 37.6 t -63.74 -33.33 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.88 110.572 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -43.24 99.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.952 -0.567 . . . . 2.44 110.786 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.49 -42.88 93.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 2.12 110.88 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 48' ' ' VAL . 13.7 mt -65.57 -51.25 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.021 -0.536 . . . . 0.47 111.167 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -54.68 -37.39 65.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 1.42 111.401 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -57.61 -56.7 18.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.93 111.268 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -61.43 -34.58 75.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 2.48 111.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -26.99 67.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 1.77 111.272 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 3.02 111.348 -179.615 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.798 0.332 . . . . 1.51 110.773 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.98 76.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.39 111.493 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.4 m -64.58 -29.64 70.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.66 111.139 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.88 -59.42 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 1.79 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -36.15 83.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 1.72 110.552 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -57.47 -41.96 81.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.5 110.493 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -38.44 91.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.65 110.911 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -62.98 -58.35 7.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 1.48 111.332 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.8 -34.12 61.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.52 111.673 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.2 t90 -71.44 -25.77 62.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.771 0.32 . . . . 0.63 111.039 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -108.27 88.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 1.08 112.432 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 162.94 -22.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.002 -0.618 . . . . 1.54 112.259 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -154.19 16.59 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.856 0.36 . . . . 1.99 110.779 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -139.56 31.35 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.53 110.905 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.77 88.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.87 -0.605 . . . . 3.1 111.433 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.637 ' HB2' ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -76.72 116.83 17.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.589 . . . . 2.8 111.144 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.56 122.75 7.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.261 -0.427 . . . . 1.17 111.035 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 11' ' ' MET . 13.8 t -63.2 -24.16 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 1.25 111.154 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -51.45 69.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 2.24 110.645 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.2 m -55.45 -32.95 63.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.71 111.228 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 tp -61.74 -48.13 82.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.5 111.198 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.43 -52.66 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.73 110.949 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.38 -18.1 57.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.67 111.343 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -59.88 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 1.23 110.983 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -58.26 -26.43 62.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.463 . . . . 0.46 111.143 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -36.69 61.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 1.59 111.024 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -58.9 -42.69 90.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 2.31 110.993 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 1.5 mt -92.43 -0.87 57.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 1.57 110.849 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mttm 54.52 45.27 27.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 2.87 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.471 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 19.6 mt -88.82 80.33 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.31 110.96 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -55.01 -24.2 23.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 1.84 110.955 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.21 -61.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 1.98 111.109 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' A' ' 28' ' ' LEU . . . -53.58 -43.99 69.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.221 -0.445 . . . . 0.42 111.359 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.9 mtp -58.91 -51.14 71.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 1.29 110.88 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -59.78 -14.61 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 3.39 111.325 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -81.63 -24.92 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.516 -0.311 . . . . 0.79 111.243 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.503 HG21 HH12 ' A' ' 21' ' ' ARG . 0.9 OUTLIER -130.3 68.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.991 0.425 . . . . 1.29 111.711 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 -46.68 4.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 2.85 110.746 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.48 3.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 1.64 111.522 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.48 -20.72 13.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.569 -0.287 . . . . 1.13 111.257 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.433 -0.349 . . . . 1.37 110.93 179.618 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.705 0.288 . . . . 1.23 110.901 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.96 150.52 5.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.62 111.1 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.425 HD12 ' HB3' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -60.8 -28.01 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.65 110.809 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -55.84 -29.45 59.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.237 -0.438 . . . . 2.82 110.737 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -34.68 67.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 1.51 110.765 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.578 ' HB3' HH11 ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.01 109.34 1.32 Allowed Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.057 -0.52 . . . . 0.93 110.724 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -51.2 122.9 10.86 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.53 2.153 . . . . 0.48 112.486 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -59.09 -50.86 85.61 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.161 -0.472 . . . . 1.64 111.645 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.7 Cg_endo -52.01 -26.81 26.49 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.215 1.943 . . . . 0.59 112.102 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.516 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 80.8 t -85.9 -40.23 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.032 -0.531 . . . . 0.65 110.528 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.578 HH11 ' HB3' ' A' ' 16' ' ' LEU . 3.4 ttp180 -61.51 -28.92 69.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.103 -0.499 . . . . 3.62 110.971 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.41 -37.84 73.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.75 -0.659 . . . . 0.48 112.691 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 6.0 pt20 -66.84 -34.47 77.87 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.959 -0.296 . . . . 2.14 111.265 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.634 HD13 HD22 ' A' ' 95' ' ' LEU . 39.1 tp -78.06 -38.27 44.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 1.51 110.784 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 80.2 m -59.51 -52.28 66.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.334 -0.394 . . . . 0.55 110.255 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -30.21 70.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.52 110.491 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -61.27 -64.63 0.89 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.993 -0.548 . . . . 0.72 110.817 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.62 -39.62 81.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 1.09 110.793 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.0 -24.35 67.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 1.2 110.971 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.45 -31.91 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.984 0.421 . . . . 0.68 110.479 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.58 1.91 7.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 1.16 110.674 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t0 58.53 45.57 16.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.053 -0.521 . . . . 2.03 110.569 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 36' ' ' GLN . 28.2 m -134.14 32.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.54 111.32 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -63.1 -37.86 88.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.5 110.517 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -23.78 67.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.961 -0.563 . . . . 2.32 110.822 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 2.2 tm0? -71.41 -40.82 70.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 3.29 111.031 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.18 -54.88 40.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.65 110.672 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -50.92 -59.8 3.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.51 . . . . 0.41 111.374 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 m -60.32 -33.18 72.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 0.51 111.615 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.16 65.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 0.47 111.151 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 m -104.73 3.64 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.5 110.828 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.42 101.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.909 -0.587 . . . . 2.14 111.043 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 38' ' ' ALA . 8.6 mt -128.3 154.51 45.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 1.03 110.917 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -69.38 134.35 88.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.41 110.399 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.34 -18.75 25.68 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.418 2.079 . . . . 1.32 112.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -71.88 -31.79 66.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.421 . . . . 2.01 110.714 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -78.41 -33.11 48.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 1.94 110.747 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.715 ' HA ' HD12 ' A' ' 51' ' ' ILE . 5.4 t -64.36 -31.81 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.88 111.065 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.94 -46.19 90.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 2.44 110.883 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -59.27 -26.82 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 2.12 111.204 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 48' ' ' VAL . 30.2 mt -79.0 -62.44 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.407 . . . . 0.47 111.303 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.3 p -55.17 -12.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 1.42 111.747 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -56.85 -69.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.669 0.271 . . . . 0.93 111.147 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -62.85 -26.02 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 2.48 111.161 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -60.16 -12.41 8.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 1.77 111.388 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.185 0 CA-C-N 116.404 -0.362 . . . . 3.02 111.555 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.805 0.336 . . . . 1.51 111.051 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.12 92.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.39 111.308 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.8 m -64.01 -26.05 68.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.66 111.01 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -61.09 -52.49 64.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 1.79 110.546 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -40.72 92.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 1.72 110.591 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.95 -43.21 81.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 0.5 110.68 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.476 HD12 ' NE ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -64.42 -34.7 78.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.65 110.824 179.551 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -63.42 -55.25 25.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 1.48 111.48 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.88 -45.43 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 0.52 111.628 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -71.6 -14.8 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.63 111.013 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.71 96.58 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.685 -0.769 . . . . 1.08 112.641 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.41 -44.16 1.25 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.779 -0.724 . . . . 1.54 112.281 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -73.34 -27.18 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 1.99 110.742 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -113.06 -11.74 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 1.53 110.944 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 57.84 55.13 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 3.1 110.955 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -77.34 -162.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 2.8 110.806 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.93 163.98 34.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 1.17 111.187 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 77' ' ' VAL . 2.7 m -62.69 -19.18 22.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 1.25 111.402 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -58.55 -63.08 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 2.24 110.777 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -55.36 -34.54 64.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.71 111.245 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 48.4 tp -61.05 -44.16 97.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.435 . . . . 0.5 110.776 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -62.11 -57.34 11.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.73 110.82 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.94 -17.26 61.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.989 -0.551 . . . . 0.67 111.755 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 16.5 tp -65.49 -52.53 52.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 1.23 110.966 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -58.6 -32.35 68.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.46 111.167 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -53.62 -27.32 26.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 1.59 111.18 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -57.57 -52.73 64.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 2.31 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.34 3.07 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 1.57 110.836 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt 58.55 52.73 6.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.997 -0.547 . . . . 2.87 111.036 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.8 mt -90.64 73.6 6.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 1.31 111.024 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -54.4 -27.87 39.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 1.84 111.148 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -66.21 -60.13 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 1.98 111.08 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.48 -34.76 59.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.074 -0.512 . . . . 0.42 111.459 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.9 mtp -59.01 -53.09 62.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 1.29 111.172 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -56.95 -28.37 62.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 3.39 111.465 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.634 HD22 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.4 -35.73 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.79 111.194 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 pt -120.25 31.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 1.29 111.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 51.65 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.969 0.414 . . . . 2.85 110.86 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.1 11.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.947 -0.57 . . . . 1.64 111.521 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -114.91 -5.98 12.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.046 0.451 . . . . 1.13 110.468 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.797 -0.638 . . . . 1.37 111.061 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 ptm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.841 0.353 . . . . 1.23 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HB3' ' HG2' ' A' ' 14' ' ' ARG . . . -51.02 149.11 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.62 111.501 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 75' ' ' HIS . 3.1 mt -56.76 -22.04 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.588 -0.733 . . . . 0.65 110.938 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.534 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 14.9 ptm180 -56.72 -10.65 1.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.337 -0.392 . . . . 2.82 111.395 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.406 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.9 tt -103.53 -30.97 10.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.782 -0.451 . . . . 1.51 109.782 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.559 HD12 ' HD3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -51.14 104.82 0.45 Allowed Pre-proline 0 C--O 1.231 0.121 0 CA-C-N 115.828 -0.624 . . . . 0.93 110.438 179.418 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HB2' HG23 ' A' ' 20' ' ' VAL . 23.6 Cg_exo -67.09 135.26 36.78 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.813 2.342 . . . . 0.48 112.466 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.614 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.1 tp -59.22 -49.42 92.97 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.846 -0.616 . . . . 1.64 112.147 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.4 Cg_endo -52.64 -29.78 42.81 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.106 1.871 . . . . 0.59 112.698 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 17' ' ' PRO . 12.4 t -87.18 -41.79 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.65 111.13 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.559 ' HD3' HD12 ' A' ' 16' ' ' LEU . 13.9 ttp180 -60.08 -35.92 76.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 3.62 111.163 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.31 -22.99 45.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.48 111.425 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.77 -33.43 74.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 2.14 110.742 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.598 HD11 ' HB1' ' A' ' 92' ' ' ALA . 58.6 tp -91.21 -28.76 17.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 1.51 110.832 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m -61.48 -39.19 90.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.978 0.418 . . . . 0.55 110.306 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -46.28 91.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.52 110.662 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -60.55 -49.0 79.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.65 -0.704 . . . . 0.72 110.887 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD12 HD11 ' A' ' 37' ' ' LEU . 4.1 mm? -58.61 -46.05 87.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 1.09 111.411 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' HB2' ' OG ' ' A' ' 62' ' ' SER . 14.3 t70 -73.21 -19.43 61.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 1.2 111.167 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.54 78.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.68 110.773 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.98 -3.52 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 1.16 110.897 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 56.33 51.09 12.05 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.495 . . . . 2.03 110.685 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.56 31.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.938 -0.574 . . . . 0.54 111.375 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -57.83 -31.21 66.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.5 110.76 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -28.86 70.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 2.32 110.897 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.655 ' NE2' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.94 -42.53 66.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 3.29 110.934 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD11 HD12 ' A' ' 28' ' ' LEU . 1.7 mt -58.03 -56.97 15.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.913 0.387 . . . . 0.65 110.599 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.76 -58.28 6.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.926 -0.579 . . . . 0.41 111.597 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 m -59.65 -31.7 69.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.092 -0.504 . . . . 0.51 111.724 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.51 -36.89 67.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.47 111.447 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.6 m -105.52 9.66 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.533 -0.303 . . . . 0.5 111.226 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.99 96.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 2.14 111.104 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mt -115.6 147.33 40.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 1.03 111.084 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.486 ' O ' HG23 ' A' ' 48' ' ' VAL . 92.3 m-85 -69.75 160.35 80.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 1.41 110.634 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 44' ' ' TYR . 32.3 Cg_endo -61.13 -37.85 71.78 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.55 2.167 . . . . 1.32 111.925 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -27.84 69.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 2.01 110.189 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -78.78 -42.29 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.882 -0.599 . . . . 1.94 110.581 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 44' ' ' TYR . 17.0 t -63.47 -49.19 83.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.88 110.814 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.94 -37.95 84.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 2.44 110.464 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -59.5 -43.25 93.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.9 -0.591 . . . . 2.12 110.942 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.88 -47.3 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.47 111.236 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -53.65 -38.19 63.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 1.42 111.292 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.18 -60.1 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.93 111.138 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -33.68 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 2.48 111.228 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 61' ' ' ALA . 2.6 tttm -59.43 -40.16 85.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.353 -0.385 . . . . 1.77 111.123 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 3.02 111.238 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.753 0.311 . . . . 1.51 110.864 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB2' ' HE2' ' A' ' 55' ' ' LYS . . . -61.12 -36.04 78.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.39 111.163 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.421 ' OG ' ' HB2' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -64.56 -34.24 77.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.66 110.824 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -51.01 71.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 1.79 110.641 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -39.33 91.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 1.72 110.445 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.45 -48.69 78.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.953 -0.567 . . . . 0.5 110.894 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 66' ' ' LEU . 2.5 mm? -63.66 -29.94 71.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.65 110.872 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -63.9 -62.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 1.48 111.51 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.69 -46.57 94.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.52 111.774 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -70.87 -18.4 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.63 111.094 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.11 88.15 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.569 -0.824 . . . . 1.08 112.597 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.8 -41.17 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 1.54 112.612 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -111.75 -29.09 7.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 1.99 110.958 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.62 -14.89 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 1.53 110.845 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 54.53 44.21 29.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 3.1 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.468 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -77.82 -168.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 2.8 111.023 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.448 HG22 ' HA ' ' A' ' 12' ' ' ALA . 53.7 p -142.82 165.62 26.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.407 -0.36 . . . . 1.17 110.786 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 99' ' ' TYR . 5.1 m -62.56 -19.73 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 1.25 111.409 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.55 -54.06 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 2.24 110.795 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.47 -37.6 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.71 111.246 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.95 -45.06 96.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.5 110.808 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.442 ' CD2' HG11 ' A' ' 100' ' ' VAL . 15.5 t80 -61.0 -46.54 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.73 110.792 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.31 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.67 111.113 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.7 -52.91 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 1.23 110.895 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -58.22 -28.51 64.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.46 111.424 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -53.97 -29.57 43.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.721 0.296 . . . . 1.59 111.006 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -59.31 -54.59 45.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 2.31 111.169 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.655 HD22 ' NE2' ' A' ' 36' ' ' GLN . 1.2 mp -92.58 -3.5 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 1.57 111.16 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 51.89 67.93 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 2.87 110.456 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 89' ' ' LEU . 4.3 mp -90.28 85.26 6.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 1.31 111.231 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -37.42 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 1.84 111.488 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -71.21 -59.46 2.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.425 . . . . 1.98 111.783 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.598 ' HB1' HD11 ' A' ' 24' ' ' LEU . . . -52.35 -32.98 40.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.4 . . . . 0.42 111.731 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 29.2 mtt -59.63 -47.33 86.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.391 -0.368 . . . . 1.29 111.383 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.579 ' HA ' ' HG3' ' A' ' 97' ' ' LYS . 34.3 mtp180 -57.85 -27.95 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 3.39 111.649 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.12 -31.65 71.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.478 -0.328 . . . . 0.79 111.463 -179.419 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.02 56.68 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 1.29 111.352 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.579 ' HG3' ' HA ' ' A' ' 94' ' ' ARG . 6.3 mmtp -96.73 -44.88 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 2.85 110.737 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.5 1.2 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.64 111.362 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' O ' HG21 ' A' ' 77' ' ' VAL . 78.5 m-85 -106.53 -20.15 13.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.547 -0.297 . . . . 1.13 111.42 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 81' ' ' PHE . 3.5 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.774 0.321 . . . . 1.37 110.923 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.6 ptm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.874 0.369 . . . . 1.23 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' HB1' ' OD1' ' A' ' 74' ' ' ASN . . . -52.9 146.47 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.62 111.271 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.65 -23.57 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 0.65 110.523 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -27.19 39.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.957 -0.565 . . . . 2.82 110.681 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.51 -33.14 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 1.51 110.32 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.583 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -50.46 105.13 0.48 Allowed Pre-proline 0 C--N 1.333 -0.119 0 CA-C-N 116.021 -0.536 . . . . 0.93 110.596 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.58 ' HB2' HG23 ' A' ' 20' ' ' VAL . 36.3 Cg_exo -61.61 126.8 19.94 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.436 2.091 . . . . 0.48 112.421 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.646 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -57.13 -48.07 98.02 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.825 -0.625 . . . . 1.64 112.058 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 2.8 Cg_endo -45.61 -27.85 3.92 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.5 2.133 . . . . 0.59 112.543 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.58 HG23 ' HB2' ' A' ' 17' ' ' PRO . 3.1 t -85.73 -43.68 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 0.65 110.766 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.583 ' HG2' HD12 ' A' ' 16' ' ' LEU . 9.1 mtm180 -59.65 -29.44 68.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 3.62 110.633 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.3 -33.47 69.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 0.48 111.665 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -67.22 -42.12 84.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.392 -0.367 . . . . 2.14 111.175 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' O ' HD23 ' A' ' 28' ' ' LEU . 31.1 tp -77.24 -33.87 55.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.297 -0.41 . . . . 1.51 111.206 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.4 m -61.3 -44.9 96.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.423 . . . . 0.55 110.207 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.84 97.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.672 -0.695 . . . . 0.52 110.582 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -59.58 -49.51 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.559 -0.746 . . . . 0.72 110.998 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.27 -32.22 69.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 1.09 111.106 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.48 -33.14 73.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 1.2 110.907 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.61 -37.33 79.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.68 110.97 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.8 -14.94 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 1.16 110.998 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.63 58.71 4.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 2.03 111.139 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 m -138.08 32.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.54 111.267 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.509 ' HA ' HD12 ' A' ' 37' ' ' LEU . 42.9 p-90 -67.64 -35.05 78.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.371 -0.377 . . . . 0.5 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -39.08 93.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 2.32 110.914 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -72.28 -35.45 68.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 3.29 110.938 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 34' ' ' TRP . 16.5 mt -59.58 -54.52 45.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.999 0.428 . . . . 0.65 110.13 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.46 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.846 -0.615 . . . . 0.41 111.456 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -59.27 -23.66 62.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.03 -0.532 . . . . 0.51 112.118 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -52.72 -32.91 45.43 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.832 0.349 . . . . 0.47 110.731 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 m -106.12 -5.94 10.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.5 110.268 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.48 100.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.581 -0.736 . . . . 2.14 111.597 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.4 178.32 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 1.03 110.919 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -69.41 161.81 71.02 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 1.41 110.591 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.35 -29.73 13.55 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.415 2.076 . . . . 1.32 111.84 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -64.08 -23.51 67.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 2.01 110.617 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.92 -51.23 10.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.527 . . . . 1.94 110.512 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.2 t -63.48 -44.79 98.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.88 110.737 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -45.41 94.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 2.44 110.707 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -58.83 -37.94 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 2.12 111.088 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.5 mt -68.96 -57.31 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 0.47 111.203 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -53.39 -35.61 60.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.417 . . . . 1.42 111.057 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.6 t -58.37 -59.13 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.93 111.095 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -33.56 73.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 2.48 111.232 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -60.58 -26.34 66.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 1.77 111.429 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 116.503 -0.317 . . . . 3.02 111.744 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.707 0.289 . . . . 1.51 110.787 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.66 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.39 111.124 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -35.99 82.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.66 110.796 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -52.86 63.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.696 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.57 -38.93 92.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.72 110.639 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -57.81 -45.56 85.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.942 -0.572 . . . . 0.5 111.041 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.16 -33.19 75.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.65 111.111 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.24 -38.34 90.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 1.48 111.644 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.8 mt -87.0 -50.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.321 . . . . 0.52 111.774 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -70.19 -53.29 17.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.394 -0.366 . . . . 0.63 111.026 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.76 72.79 1.42 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.705 -0.759 . . . . 1.08 112.477 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.52 -76.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 1.54 112.563 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.07 -27.98 66.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.789 0.328 . . . . 1.99 110.97 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -81.52 -28.75 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 1.53 110.914 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.467 ' OD1' ' HB1' ' A' ' 12' ' ' ALA . 52.6 t30 54.53 54.78 8.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.128 -0.487 . . . . 3.1 110.839 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -178.73 5.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 2.8 111.205 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.44 148.53 21.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.548 . . . . 1.17 111.375 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 16' ' ' LEU . 7.6 m -64.75 -27.15 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 1.25 110.997 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -59.4 -42.71 92.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 2.24 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -54.87 -34.76 63.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.71 111.056 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.95 -45.65 93.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.538 . . . . 0.5 110.966 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.414 ' HB2' HG11 ' A' ' 100' ' ' VAL . 8.9 t80 -62.22 -57.55 11.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.73 111.133 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.22 -16.93 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 0.67 111.653 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.8 tp -66.48 -59.46 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.518 -0.31 . . . . 1.23 110.978 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -58.28 -22.15 51.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.46 111.455 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -37.89 62.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.342 -0.39 . . . . 1.59 110.896 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -59.02 -39.18 81.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 2.31 110.974 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.17 -1.87 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 1.57 111.037 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt 57.12 40.09 28.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 2.87 111.069 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -89.26 72.72 8.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 1.31 110.891 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -53.26 -33.97 55.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 1.84 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -60.45 -56.53 20.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 1.98 110.885 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.457 ' HB1' HD11 ' A' ' 24' ' ' LEU . . . -53.12 -40.58 64.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.081 -0.509 . . . . 0.42 111.268 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.414 ' O ' HG13 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -60.95 -48.22 82.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 1.29 110.99 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -21.31 59.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 3.39 111.533 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.446 HD22 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.29 -26.91 68.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.512 -0.313 . . . . 0.79 111.508 -179.417 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 93' ' ' MET . 1.5 pt -108.95 -103.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.769 -0.196 . . . . 1.29 110.581 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 96' ' ' ILE . 4.5 mtpt 72.8 -51.77 0.71 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.168 0.432 . . . . 2.85 112.168 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -0.44 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.713 0.264 . . . . 1.64 111.713 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.432 ' O ' HG21 ' A' ' 77' ' ' VAL . 83.2 m-85 -111.37 -15.38 13.59 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.68 0.252 . . . . 1.13 111.68 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.414 HG11 ' HB2' ' A' ' 81' ' ' PHE . 1.4 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 1.37 111.092 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 1.23 110.916 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 151.66 3.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.62 111.166 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -26.7 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.786 -0.643 . . . . 0.65 110.877 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -55.02 -34.34 63.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 2.82 111.051 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -73.61 -36.51 65.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 1.51 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.778 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -52.43 112.13 3.13 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.93 110.957 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.426 ' HD2' HD13 ' A' ' 16' ' ' LEU . 78.4 Cg_exo -50.24 122.1 8.76 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.435 2.09 . . . . 0.48 112.434 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.624 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -56.69 -49.08 95.77 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.122 -0.49 . . . . 1.64 111.724 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.0 Cg_endo -52.23 -26.01 25.44 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.169 1.912 . . . . 0.59 112.389 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.1 t -86.09 -41.42 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.65 110.679 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.778 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.56 -35.98 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 3.62 110.952 179.652 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -21.48 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.891 -0.595 . . . . 0.48 111.514 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -59.8 3.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 2.14 110.688 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 28' ' ' LEU . 50.7 tp -66.89 -30.76 71.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.518 . . . . 1.51 110.735 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.7 m -61.71 -40.59 95.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.55 110.31 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.32 90.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.813 -0.63 . . . . 0.52 110.759 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -59.97 -48.98 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.796 -0.638 . . . . 0.72 111.067 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.4 mm? -60.09 -51.48 69.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 1.09 111.621 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -62.14 -23.28 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 1.2 111.084 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.94 -32.79 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.68 110.698 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.51 1.49 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.894 -0.594 . . . . 1.16 110.933 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t0 58.45 46.56 14.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.072 -0.513 . . . . 2.03 110.803 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.76 64.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.54 111.178 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -86.73 -37.86 17.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.5 110.782 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.08 -27.52 69.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 2.32 110.923 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' OE1' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.43 -37.83 71.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 3.29 110.939 -179.77 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.78 -61.39 2.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.807 0.336 . . . . 0.65 110.64 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.97 -55.15 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.41 111.631 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.7 m -60.47 -31.29 70.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.176 -0.465 . . . . 0.51 111.748 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.28 -33.72 63.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.666 0.269 . . . . 0.47 111.311 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.64 6.32 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.792 0.33 . . . . 0.5 111.191 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.55 102.67 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.039 -0.528 . . . . 2.14 111.082 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mt -123.39 164.6 18.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 1.03 111.109 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.513 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 21.7 m-85 -69.36 136.16 88.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 1.41 110.544 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.46 -10.15 12.84 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.546 2.164 . . . . 1.32 112.414 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -86.49 -32.53 20.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.424 -0.353 . . . . 2.01 110.724 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.513 ' HG3' ' HB2' ' A' ' 44' ' ' TYR . 2.9 mm-40 -77.76 -39.47 44.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 1.94 110.5 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.554 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.8 t -63.76 -45.67 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.88 110.907 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.48 -38.73 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 2.44 110.944 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -33.34 71.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 2.12 111.135 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 48' ' ' VAL . 15.9 mt -74.23 -48.9 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.293 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 p -53.33 -30.89 41.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 1.42 111.263 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -68.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.93 111.108 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -61.41 -32.76 72.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 2.48 111.265 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 8.7 ttpt -59.12 -35.32 73.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 1.77 111.191 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 3.02 110.981 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.462 ' HB2' ' HB2' ' A' ' 63' ' ' ASN . 72.7 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.787 0.327 . . . . 1.51 110.774 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.433 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.11 -37.04 81.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.39 111.336 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -64.87 -41.78 95.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.66 111.03 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.462 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 2.3 m-20 -61.31 -48.92 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 1.79 111.038 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.87 -45.9 84.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 1.72 110.871 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -57.28 -35.8 70.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.535 . . . . 0.5 110.742 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -39.63 94.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.65 111.155 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -62.74 -45.66 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 1.48 111.476 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.2 mt -71.81 -49.96 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 0.52 111.812 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -70.66 -14.04 62.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.63 110.96 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.89 83.14 0.35 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.664 -0.779 . . . . 1.08 112.452 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.73 -40.34 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 1.54 112.623 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -116.53 10.51 14.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 1.99 111.192 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -119.61 -14.58 9.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.53 111.01 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 51.63 47.15 25.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.188 -0.46 . . . . 3.1 111.067 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.25 -164.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 2.8 110.832 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.38 157.43 43.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.902 0.382 . . . . 1.17 111.351 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.457 HG11 HD23 ' A' ' 16' ' ' LEU . 4.6 m -63.26 -22.09 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 1.25 111.625 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.08 -54.27 48.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 2.24 110.885 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 m -55.62 -32.43 63.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 0.71 111.457 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 47.6 tp -60.38 -43.97 96.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 0.5 110.917 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -61.56 -57.51 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.73 110.939 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.85 -15.65 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.67 111.739 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.55 -59.83 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 1.23 110.901 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.557 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 31.4 m-85 -58.48 -25.87 62.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.46 111.336 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -33.77 53.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 1.59 110.721 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -59.54 -43.16 93.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 2.31 110.815 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.544 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -93.92 -0.61 55.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 1.57 110.807 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.3 46.11 16.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.541 . . . . 2.87 111.263 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 95.2 mt -89.88 77.08 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.338 -0.392 . . . . 1.31 110.867 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -54.31 -32.24 56.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 1.84 111.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -50.17 54.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.394 . . . . 1.98 111.112 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.57 -45.97 70.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.42 111.248 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.446 ' O ' HG13 ' A' ' 96' ' ' ILE . 31.2 mtm -60.48 -44.59 95.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 1.29 110.973 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 94' ' ' ARG . 4.5 ttp-105 -59.78 -19.2 49.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 3.39 111.747 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -72.6 -23.66 60.97 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.758 0.281 . . . . 0.79 111.758 -179.376 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 93' ' ' MET . 1.3 pt -108.47 -97.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 121.198 -0.201 . . . . 1.29 110.776 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 100' ' ' VAL . 0.1 OUTLIER 67.88 -69.76 0.14 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.787 0.291 . . . . 2.85 111.787 179.545 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -0.94 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.58 -0.282 . . . . 1.64 111.508 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.621 ' HB3' HD21 ' A' ' 16' ' ' LEU . 98.2 m-85 -108.98 -16.13 14.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.617 -0.265 . . . . 1.13 111.255 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 97' ' ' LYS . 28.5 m . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 120.747 0.308 . . . . 1.37 111.226 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.495 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.766 0.317 . . . . 1.23 110.77 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.11 136.82 23.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.62 111.237 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.403 HD12 ' CB ' ' A' ' 75' ' ' HIS . 12.7 mt -56.2 -26.49 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.682 -0.69 . . . . 0.65 110.691 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -38.35 68.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 2.82 110.598 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -33.64 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 1.51 111.121 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.667 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.91 112.4 3.21 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.332 -0.394 . . . . 0.93 110.897 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD2' HD13 ' A' ' 16' ' ' LEU . 52.4 Cg_exo -53.11 123.0 12.14 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.444 2.096 . . . . 0.48 112.298 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.427 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -58.71 -47.69 98.24 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.183 -0.462 . . . . 1.64 111.529 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 84.4 Cg_exo -47.91 -29.44 11.72 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.341 2.027 . . . . 0.59 112.658 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.8 t -84.95 -41.56 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.302 -0.408 . . . . 0.65 111.052 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.667 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -59.54 -40.26 86.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 3.62 110.871 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.26 52.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 0.48 111.718 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -47.22 73.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.454 -0.339 . . . . 2.14 110.774 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.869 HD23 HD13 ' A' ' 95' ' ' LEU . 2.6 tm? -73.22 -29.03 62.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 1.51 110.302 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.5 m -59.41 -44.49 92.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.55 110.192 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.52 110.732 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -59.71 -56.8 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.412 -0.813 . . . . 0.72 111.276 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.833 HD11 HD13 ' A' ' 89' ' ' LEU . 3.9 mm? -60.03 -34.45 73.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 1.09 111.286 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.11 -34.13 71.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.332 -0.395 . . . . 1.2 111.104 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.68 -36.0 77.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.68 111.12 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -72.07 -8.57 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 1.16 111.167 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 53.54 62.27 2.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.443 . . . . 2.03 111.07 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.419 HG12 ' OE1' ' A' ' 36' ' ' GLN . 26.8 m -135.86 26.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.54 111.253 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -64.09 -39.47 94.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.5 110.634 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.37 -41.62 96.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 2.32 110.682 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 24.0 mt-30 -71.44 -29.06 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 3.29 110.533 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 4.9 mt -64.56 -49.34 71.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.161 0.505 . . . . 0.65 109.767 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -53.12 -64.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.584 -0.734 . . . . 0.41 111.078 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -25.13 66.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.51 111.7 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -52.56 -32.33 40.45 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.827 0.346 . . . . 0.47 110.732 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.425 HG13 HD13 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -105.13 -6.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.5 110.247 179.092 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.36 98.02 0.03 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.562 -0.745 . . . . 2.14 111.562 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.24 -171.19 2.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.094 -0.503 . . . . 1.03 110.664 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' O ' HG23 ' A' ' 48' ' ' VAL . 29.0 m-85 -70.23 127.95 91.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 1.41 110.936 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.45 -21.3 67.43 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.367 2.045 . . . . 1.32 112.131 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -82.58 -26.51 32.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 2.01 111.03 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -77.21 -28.68 53.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.391 -0.368 . . . . 1.94 110.477 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 44' ' ' TYR . 6.2 t -65.07 -32.81 59.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.88 110.748 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.54 -29.44 69.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 2.44 111.099 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.23 -35.67 74.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 2.12 110.993 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.3 mt -75.38 -36.91 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.47 111.045 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.1 t -54.99 -54.26 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 1.42 111.179 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.9 t -58.46 -47.75 83.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.93 111.277 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -60.86 -30.56 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 2.48 111.172 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -60.52 -35.43 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 1.77 111.116 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 3.02 111.12 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.89 0.376 . . . . 1.51 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.89 99.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.39 111.461 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.9 m -64.44 -40.53 95.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.66 110.921 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.65 -44.41 96.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 1.79 110.809 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.6 -43.32 90.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 1.72 110.48 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -57.63 -47.46 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.5 110.745 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.516 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -63.69 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.65 110.956 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.35 -58.07 7.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 1.48 111.454 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.45 -49.34 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.52 111.946 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 36.6 t90 -70.52 -23.97 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.504 -0.316 . . . . 0.63 111.08 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -124.33 60.9 0.6 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 1.08 112.477 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.03 -37.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 1.54 112.549 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -119.85 -19.55 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 1.99 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -84.76 -28.76 26.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 1.53 110.645 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 53.34 51.58 15.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 3.1 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.403 ' CB ' HD12 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -77.62 179.71 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 2.8 111.126 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.4 p -95.44 146.91 24.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.726 -0.67 . . . . 1.17 111.123 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.671 HG12 HG13 ' A' ' 100' ' ' VAL . 16.0 t -64.13 -25.06 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 1.25 110.863 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -41.45 89.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 2.24 110.917 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 m -55.24 -37.8 67.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.71 111.064 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.92 -39.72 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.5 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.43 -62.55 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.73 111.203 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.2 -16.42 44.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.67 111.629 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.425 HD13 HG13 ' A' ' 41' ' ' VAL . 25.7 tp -65.8 -54.65 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.23 111.114 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -58.14 -35.4 71.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.46 111.222 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -38.8 59.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 1.59 110.875 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.77 -40.77 84.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 2.31 110.96 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 3.02 56.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 1.57 110.93 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm 59.84 34.97 21.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.515 . . . . 2.87 111.332 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.833 HD13 HD11 ' A' ' 28' ' ' LEU . 12.8 mt -90.73 68.73 6.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.31 110.775 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -54.59 -40.08 68.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 1.84 111.347 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -57.78 -47.45 82.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.315 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.55 -42.13 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.42 111.481 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.451 ' O ' HG13 ' A' ' 96' ' ' ILE . 13.7 mtm -60.27 -42.16 94.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 1.29 111.592 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -59.51 -17.03 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.052 0.39 . . . . 3.39 112.052 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.869 HD13 HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -73.81 -24.02 59.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.65 0.262 . . . . 0.79 111.423 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -109.94 -93.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.565 -0.289 . . . . 1.29 110.761 179.686 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.8 OUTLIER 65.72 -74.05 0.06 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.769 0.318 . . . . 2.85 111.665 179.583 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.94 8.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.13 0.418 . . . . 1.64 112.13 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.444 ' H ' ' C ' ' A' ' 97' ' ' LYS . 83.8 m-85 -109.61 -16.54 13.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 1.13 110.891 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.671 HG13 HG12 ' A' ' 77' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 1.37 110.858 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 ptt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.9 0.381 . . . . 1.23 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB3' ' HG2' ' A' ' 14' ' ' ARG . . . -52.53 148.17 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.015 -0.538 . . . . 0.62 111.323 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mt -58.47 -20.93 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.467 -0.788 . . . . 0.65 110.819 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.54 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 2.5 ptm180 -56.19 -18.31 9.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 2.82 111.099 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -28.04 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 1.51 110.411 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -50.18 104.5 0.43 Allowed Pre-proline 0 C--O 1.231 0.124 0 CA-C-N 116.006 -0.543 . . . . 0.93 110.363 179.515 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HB2' HG23 ' A' ' 20' ' ' VAL . 26.9 Cg_exo -64.26 125.29 14.85 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.622 2.215 . . . . 0.48 112.653 -179.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 1.1 mt -64.0 -45.73 80.42 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.838 -0.619 . . . . 1.64 111.876 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 94.1 Cg_exo -44.22 -34.58 7.1 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.363 2.042 . . . . 0.59 112.808 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 17' ' ' PRO . 2.3 t -86.38 -43.99 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.65 110.992 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.637 HH21 HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -59.33 -26.12 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 3.62 110.891 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.49 -30.9 65.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.784 -0.643 . . . . 0.48 111.513 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -27.1 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 2.14 110.969 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.79 ' HB2' HD22 ' A' ' 95' ' ' LEU . 57.7 tp -88.15 -35.24 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 1.51 110.976 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.5 m -60.12 -42.54 94.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.55 110.339 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.33 96.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.851 -0.613 . . . . 0.52 111.086 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -60.45 -52.81 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.72 111.168 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.4 mm? -59.93 -24.62 64.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.065 -0.516 . . . . 1.09 111.414 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -32.79 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 1.2 110.802 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.62 -44.66 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.68 110.974 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -20.1 62.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 1.16 110.809 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 52.23 73.76 0.31 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 2.03 111.023 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.66 26.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.54 111.195 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.755 ' HA ' HD12 ' A' ' 37' ' ' LEU . 59.9 p-90 -66.63 -36.88 83.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.5 110.964 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -63.19 -35.95 82.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 2.32 110.675 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -71.97 -29.18 63.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.534 . . . . 3.29 110.626 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 34' ' ' TRP . 18.8 mt -65.09 -58.69 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.65 110.463 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.18 -55.9 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.41 111.235 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -61.14 -33.15 72.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.51 111.736 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.67 67.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.865 0.364 . . . . 0.47 111.071 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.98 4.53 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.5 110.57 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.452 ' HZ3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 61.67 110.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.674 -0.693 . . . . 2.14 111.37 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.98 156.07 46.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 1.03 110.797 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.39 157.52 89.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 1.41 110.728 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.22 -27.88 28.51 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.497 2.132 . . . . 1.32 111.728 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -31.73 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 2.01 110.326 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -78.64 -43.54 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 1.94 110.346 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HA ' HD12 ' A' ' 51' ' ' ILE . 53.0 t -63.02 -48.03 89.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.88 110.663 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.22 -40.48 90.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 2.44 110.292 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -27.98 67.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 2.12 111.009 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.486 HG23 ' HB3' ' A' ' 64' ' ' GLU . 24.4 mt -82.62 -56.21 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.47 111.198 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.4 p -52.84 -35.61 57.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 1.42 111.152 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 t -59.17 -68.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.93 110.864 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -62.3 -15.23 46.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 2.48 111.375 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 3.9 ttmt -58.32 -55.27 37.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.83 0.348 . . . . 1.77 110.945 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 3.02 111.201 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.818 0.342 . . . . 1.51 110.879 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.29 -41.01 96.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.39 111.295 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 m -65.71 -42.09 91.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.66 110.767 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.36 -49.98 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 1.79 110.824 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.486 ' HB3' HG23 ' A' ' 51' ' ' ILE . 4.1 tp10 -64.71 -38.87 92.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 1.72 110.603 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -58.01 -46.3 85.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.969 -0.56 . . . . 0.5 110.606 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HG ' HH11 ' A' ' 21' ' ' ARG . 3.6 mm? -64.09 -29.67 70.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.65 110.885 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.37 -20.3 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 1.48 111.198 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.6 mt -105.06 -57.9 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.355 -0.384 . . . . 0.52 111.516 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -71.23 -4.54 26.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.438 . . . . 0.63 111.036 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -131.02 44.03 1.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 1.08 112.563 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.61 -39.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 1.54 112.581 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -76.33 -45.98 29.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 1.99 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -98.49 -21.02 16.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 1.53 111.017 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 54.35 70.83 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 3.1 110.8 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -178.52 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 2.8 110.992 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.5 p -96.35 151.51 19.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 1.17 111.231 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.3 m -63.62 -24.87 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 1.25 110.688 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -63.62 -50.58 68.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 2.24 110.664 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -55.43 -33.31 63.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.71 111.064 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.618 HD21 HH21 ' A' ' 21' ' ' ARG . 50.0 tp -61.03 -45.89 92.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.076 -0.511 . . . . 0.5 110.815 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -61.0 -50.63 72.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.73 110.8 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.53 -22.03 64.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.67 111.37 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.9 tp -66.92 -54.5 21.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 1.23 111.086 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -58.07 -30.19 66.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.46 111.318 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -53.39 -32.72 50.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 1.59 111.029 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -43.46 91.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 2.31 110.88 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -92.88 -1.23 56.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 1.57 111.0 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm 56.66 46.99 19.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.111 -0.495 . . . . 2.87 111.055 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.505 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 57.8 mt -90.65 71.97 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 1.31 111.001 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -54.19 -28.43 40.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 1.84 111.195 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.3 -53.43 19.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.98 111.163 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.43 -32.62 50.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.42 111.621 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.5 mtt -58.79 -52.24 66.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 1.29 111.403 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -57.97 -17.79 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 3.39 111.768 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.79 HD22 ' HB2' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -83.91 -28.18 28.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.639 0.256 . . . . 0.79 111.343 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.637 HG21 HH21 ' A' ' 21' ' ' ARG . 1.1 pt -113.24 7.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.91 0.386 . . . . 1.29 111.108 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -19.85 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 2.85 110.882 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.97 -5.01 11.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.061 -0.518 . . . . 1.64 111.355 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -107.2 -43.49 4.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.508 -0.315 . . . . 1.13 111.192 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.403 -0.362 . . . . 1.37 111.071 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.65 0.262 . . . . 1.23 110.836 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HA ' ' HA ' ' A' ' 76' ' ' THR . . . -50.04 151.58 1.91 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.142 -0.481 . . . . 0.62 110.866 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.645 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.1 mt -49.95 -28.5 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.753 -0.658 . . . . 0.65 110.786 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.92 -43.06 76.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.064 -0.516 . . . . 2.82 110.424 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -35.73 67.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 1.51 110.429 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.431 HD13 ' HD2' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -53.11 115.59 7.79 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.93 110.828 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' HD13 ' A' ' 16' ' ' LEU . 33.5 Cg_exo -59.48 121.35 9.74 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.357 2.038 . . . . 0.48 112.083 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -57.04 -47.5 98.99 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.102 -0.499 . . . . 1.64 111.538 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 83.9 Cg_exo -48.72 -34.75 28.37 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.372 2.048 . . . . 0.59 112.716 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.3 t -85.54 -32.2 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.44 -0.345 . . . . 0.65 110.943 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.651 HH22 HG21 ' A' ' 96' ' ' ILE . 6.8 tpm_? -60.5 -32.28 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 3.62 110.898 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.21 -15.83 11.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.975 -0.557 . . . . 0.48 111.691 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.468 ' OE1' HD21 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -66.25 -56.1 12.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.443 -0.344 . . . . 2.14 110.857 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.648 HD23 HD13 ' A' ' 95' ' ' LEU . 1.6 tm? -64.07 -37.42 87.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 1.51 110.587 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.3 m -58.43 -45.9 87.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.936 0.398 . . . . 0.55 110.283 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.05 82.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.56 . . . . 0.52 110.647 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -61.69 -60.69 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.673 -0.694 . . . . 0.72 111.114 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 24' ' ' LEU . 1.3 mt -59.47 -26.37 65.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 1.09 111.638 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -54.59 -35.06 62.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.411 -0.359 . . . . 1.2 111.129 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.85 -38.49 79.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.68 111.04 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.06 -23.91 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 1.16 111.082 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.74 67.77 0.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 2.03 110.909 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.2 m -137.16 21.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.54 111.155 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.711 ' HA ' HD12 ' A' ' 37' ' ' LEU . 29.3 p-90 -61.67 -33.07 73.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.5 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.92 -33.52 75.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 2.32 110.813 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.45 -33.33 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 3.29 110.875 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 34' ' ' TRP . 4.9 mt -64.77 -58.4 6.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.65 110.715 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.79 -55.86 12.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 0.41 111.545 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 m -60.31 -40.22 89.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.51 111.47 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.53 66.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.423 -0.353 . . . . 0.47 111.175 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.3 m -104.23 3.9 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.5 111.003 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 tptt 58.74 93.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.929 -0.578 . . . . 2.14 110.995 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.81 158.01 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 1.03 110.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 87.3 m-85 -69.15 130.88 90.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.41 110.677 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 47.9 Cg_exo -57.06 -19.95 35.19 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.48 2.12 . . . . 1.32 112.354 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.99 -31.4 39.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 2.01 110.747 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.2 -32.12 49.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 1.94 110.798 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.402 ' HA ' HD12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -64.04 -37.33 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.085 0.469 . . . . 0.88 110.285 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -40.59 90.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.582 -0.736 . . . . 2.44 110.587 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.74 -40.39 87.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 2.12 110.946 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' ' 64' ' ' GLU . 17.3 mt -67.15 -48.3 79.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.47 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 t -53.78 -33.03 54.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 1.42 111.067 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -62.1 2.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.93 111.019 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -61.27 -36.28 79.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 2.48 111.069 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -61.09 -34.05 74.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.77 111.082 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 3.02 111.051 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.942 0.401 . . . . 1.51 110.847 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.689 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -60.72 -29.36 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.555 . . . . 0.39 111.263 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -28.44 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.66 110.87 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -61.07 -51.42 69.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 1.79 110.585 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.486 ' HB2' HG23 ' A' ' 51' ' ' ILE . 10.4 mm-40 -65.61 -40.46 92.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 1.72 110.595 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.21 -46.61 82.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.5 110.663 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.47 -31.4 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.65 111.014 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.31 -51.74 64.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 1.48 111.343 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.8 mt -72.96 -50.54 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.52 111.743 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -70.74 -11.15 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.63 111.091 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.645 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -116.31 54.85 0.57 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 1.08 112.482 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -171.16 -37.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.815 -0.707 . . . . 1.54 112.471 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.16 -9.99 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 1.99 110.801 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -111.47 -20.21 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 1.53 110.802 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m120 57.33 31.21 19.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.077 -0.511 . . . . 3.1 111.412 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.401 ' O ' HD12 ' A' ' 13' ' ' ILE . 7.2 m-70 -77.85 143.5 37.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 2.8 110.773 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 8.5 p -89.13 178.37 6.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 1.17 111.106 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 t -63.63 -23.06 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 1.25 111.108 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -57.9 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 2.24 110.806 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.7 m -53.6 -36.26 61.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.71 110.937 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.1 tp -61.74 -39.46 91.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.933 -0.576 . . . . 0.5 110.736 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.658 ' HB2' HG21 ' A' ' 100' ' ' VAL . 25.8 t80 -60.82 -48.78 80.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.027 -0.533 . . . . 0.73 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.01 -25.68 67.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.67 111.301 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.511 HD22 HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -66.02 -51.69 56.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 1.23 110.885 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -57.84 -34.55 69.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.46 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -53.58 -37.47 62.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 1.59 111.107 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -41.05 84.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 2.31 111.109 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -92.6 1.01 57.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 1.57 111.183 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? 56.94 45.82 20.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.426 . . . . 2.87 111.179 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.475 HD13 HD21 ' A' ' 28' ' ' LEU . 30.8 mt -89.32 80.3 6.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 1.31 110.75 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.39 -32.61 50.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 1.84 111.311 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.06 -56.45 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 1.98 111.245 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.56 -38.59 55.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.42 111.436 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.8 mtp -59.68 -62.3 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.391 -0.368 . . . . 1.29 110.829 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -60.63 -12.61 10.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.514 . . . . 3.39 111.258 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.648 HD13 HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -74.1 -26.34 60.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.79 111.334 -179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.651 HG21 HH22 ' A' ' 21' ' ' ARG . 0.7 OUTLIER -132.5 71.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.871 0.367 . . . . 1.29 111.522 -179.653 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.25 -50.9 4.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 2.85 110.927 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -4.28 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 1.64 111.575 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -107.34 -23.12 12.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 1.13 111.25 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.658 HG21 ' HB2' ' A' ' 81' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 1.37 111.792 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 ptt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.643 0.258 . . . . 1.23 110.757 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.532 ' HB1' ' CE1' ' A' ' 75' ' ' HIS . . . -50.91 155.06 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.62 111.125 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.632 ' HB ' ' HB2' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -53.94 -27.55 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.65 110.747 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -37.35 71.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.026 0.441 . . . . 2.82 110.232 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -35.38 66.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.793 -0.64 . . . . 1.51 110.587 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.562 HD21 HG22 ' A' ' 77' ' ' VAL . 3.7 mm? -52.07 117.56 10.35 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.808 -0.633 . . . . 0.93 110.858 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.6 117.69 4.43 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.3 2.0 . . . . 0.48 111.991 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.598 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -61.74 -49.83 84.48 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.308 -0.406 . . . . 1.64 111.844 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 12.9 Cg_endo -56.0 -30.44 78.19 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.217 1.945 . . . . 0.59 112.688 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -86.11 -42.89 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.65 111.053 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HE ' ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -61.04 -31.72 71.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 3.62 110.906 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' HA ' ' HB2' ' A' ' 25' ' ' CYS . . . -58.09 -14.09 6.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.48 111.406 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -67.44 -52.03 44.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 2.14 111.083 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.692 HD13 HD22 ' A' ' 95' ' ' LEU . 46.9 tp -77.69 -25.26 49.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.491 -0.322 . . . . 1.51 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -59.54 -42.82 93.2 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.662 -0.496 . . . . 0.55 109.662 179.486 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.21 94.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.548 -0.751 . . . . 0.52 110.54 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.464 ' HB3' HD12 ' A' ' 24' ' ' LEU . 44.8 t-80 -59.57 -54.76 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.283 -0.872 . . . . 0.72 111.283 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.13 -41.44 79.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 1.09 111.05 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.32 -24.51 59.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 1.2 110.679 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.46 -34.03 75.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.68 110.598 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.98 2.71 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.84 -0.618 . . . . 1.16 110.619 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 61.24 43.48 10.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.826 -0.625 . . . . 2.03 110.9 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.671 ' HB ' ' HG2' ' A' ' 36' ' ' GLN . 17.3 m -134.59 61.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.54 111.356 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.534 ' HA ' HD12 ' A' ' 37' ' ' LEU . 51.1 p-90 -87.71 -27.81 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.354 -0.61 . . . . 0.5 109.354 178.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -26.98 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.27 -0.877 . . . . 2.32 110.795 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.671 ' HG2' ' HB ' ' A' ' 33' ' ' VAL . 1.3 pp0? -69.15 -33.12 72.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.711 -0.677 . . . . 3.29 111.262 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 34' ' ' TRP . 1.2 mt -69.63 -60.91 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.789 0.328 . . . . 0.65 110.868 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.64 -55.94 16.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.41 111.621 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.1 m -60.42 -34.34 73.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.51 111.964 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -54.26 -35.76 62.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.809 0.338 . . . . 0.47 111.115 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG11 ' NE1' ' A' ' 69' ' ' TRP . 25.9 m -106.22 2.61 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.5 110.836 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.6 96.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.862 -0.608 . . . . 2.14 110.937 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -114.02 157.35 22.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.03 111.073 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.448 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 76.1 m-85 -68.96 132.09 90.6 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 1.41 110.56 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.9 -17.35 23.53 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.558 2.172 . . . . 1.32 112.666 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.96 -33.77 33.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 2.01 110.594 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.448 ' HG3' ' HB2' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -77.62 -29.89 52.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 1.94 110.267 179.454 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.04 -31.16 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.917 -0.583 . . . . 0.88 110.625 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.17 -36.8 75.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 2.44 110.893 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -49.44 77.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 2.12 111.287 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.2 mt -61.22 -52.19 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.47 111.514 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -32.71 49.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 1.42 111.551 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -58.7 -69.02 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.385 -0.37 . . . . 0.93 111.418 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.18 -29.41 69.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 2.48 111.239 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 9.7 ttpt -59.42 -42.83 92.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 1.77 111.213 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 3.02 111.154 -179.733 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.758 0.313 . . . . 1.51 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.75 -39.35 91.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.39 111.296 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.3 m -64.74 -35.8 82.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.66 111.234 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -60.69 -54.7 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 1.79 111.043 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.73 -40.62 95.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 1.72 110.765 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.84 -43.57 77.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.922 -0.581 . . . . 0.5 110.995 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.484 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -65.84 -38.3 88.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.65 111.54 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.29 -20.21 64.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 1.48 112.138 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.12 -36.87 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.815 0.34 . . . . 0.52 111.703 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.494 ' NE1' HG11 ' A' ' 41' ' ' VAL . 35.6 t90 -71.87 -52.53 16.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.26 -0.427 . . . . 0.63 111.118 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.94 73.73 1.91 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 1.08 112.543 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.45 -33.62 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.861 -0.685 . . . . 1.54 112.405 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.81 30.91 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.979 0.419 . . . . 1.99 110.714 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 74' ' ' ASN . 27.4 m-85 -143.71 32.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.93 -0.577 . . . . 1.53 110.681 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 76' ' ' THR . 7.8 m120 75.68 -23.94 0.23 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.703 -0.681 . . . . 3.1 111.195 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.632 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 15.8 p80 37.17 -136.6 0.05 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.167 -0.47 . . . . 2.8 112.247 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 74' ' ' ASN . 9.6 p 80.36 151.66 0.11 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.126 0.97 . . . . 1.17 111.171 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.562 HG22 HD21 ' A' ' 16' ' ' LEU . 2.2 t -60.78 -49.25 85.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.616 -0.72 . . . . 1.25 111.915 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -48.99 -44.1 40.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.86 0.362 . . . . 2.24 110.466 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 m -57.51 -41.75 81.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.899 -0.591 . . . . 0.71 110.993 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 84' ' ' PHE . 52.8 tp -61.35 -39.41 90.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.061 -0.518 . . . . 0.5 111.016 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -60.6 -33.91 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.73 110.759 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.79 86.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.67 111.221 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.65 -51.46 59.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 1.23 111.06 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.834 ' HB3' HD11 ' A' ' 89' ' ' LEU . 11.2 m-30 -56.85 -60.94 2.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.018 -0.537 . . . . 0.46 111.211 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -51.14 -30.49 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.725 0.298 . . . . 1.59 111.526 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -59.92 -35.57 75.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 2.31 111.677 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 36' ' ' GLN . 13.8 tp -92.17 3.42 55.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.492 -0.322 . . . . 1.57 111.702 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? 55.11 51.33 13.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 2.87 110.987 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.834 HD11 ' HB3' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -89.57 72.26 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.31 111.005 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.25 -18.98 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 1.84 112.206 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 1.3 m120 -89.18 -60.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.695 0.283 . . . . 1.98 111.53 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.732 ' HB3' HD22 ' A' ' 89' ' ' LEU . . . -53.6 -23.88 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.42 111.764 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.37 -59.44 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 1.29 111.52 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.514 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 5.6 ptm180 -58.1 -16.51 13.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 3.39 111.979 -179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.692 HD22 HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -73.17 -38.93 66.02 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.558 0.207 . . . . 0.79 111.558 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.424 HG23 HD22 ' A' ' 24' ' ' LEU . 2.1 pt -114.6 10.25 7.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.757 0.313 . . . . 1.29 111.141 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.514 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -68.63 -29.85 68.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 2.85 110.567 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.63 2.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.928 -0.578 . . . . 1.64 111.61 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -102.47 -40.02 6.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.82 0.343 . . . . 1.13 110.936 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 1.37 110.493 179.341 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 112.489 -0.244 . . . . 14.04 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.25 -28.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 13.39 110.987 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -103.53 134.02 47.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 12.87 110.973 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -139.07 -1.47 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 11.46 110.796 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.78 3.74 2.13 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.948 -0.569 . . . . 7.75 111.405 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 49.44 62.28 2.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.247 -0.433 . . . . 7.53 111.103 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.12 3.49 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 5.67 110.772 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.07 164.92 20.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 3.86 110.78 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.2 107.6 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.386 -0.37 . . . . 4.31 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.416 ' HB ' ' HB ' ' A' ' 76' ' ' THR . 1.4 m -110.92 163.66 13.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.069 -0.514 . . . . 1.93 110.885 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.0 ptm -56.14 122.39 11.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 1.23 111.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.02 144.6 11.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.0 -0.545 . . . . 0.62 111.239 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.533 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.3 mt -57.34 -29.86 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.636 . . . . 0.65 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -29.12 54.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 2.82 110.518 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tt -78.89 -36.43 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.827 -0.624 . . . . 1.51 110.42 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.32 111.7 2.54 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.888 -0.597 . . . . 0.93 110.915 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.52 120.12 7.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.341 2.027 . . . . 0.48 112.176 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.614 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -57.43 -49.45 93.81 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.144 -0.48 . . . . 1.64 111.808 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.7 Cg_endo -53.86 -23.01 25.72 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.209 1.94 . . . . 0.59 112.365 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.454 HG11 ' OH ' ' A' ' 99' ' ' TYR . 85.3 t -86.23 -42.06 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.65 110.807 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -60.24 -26.3 66.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 3.62 110.951 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -24.38 50.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.48 111.294 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -43.28 80.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 2.14 110.953 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tt -75.3 -42.15 55.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.51 110.923 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.7 m -57.57 -45.49 85.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.021 0.438 . . . . 0.55 110.347 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.15 90.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.52 110.832 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -62.96 -60.57 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.7 -0.682 . . . . 0.72 111.01 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.08 -23.27 61.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 1.09 111.184 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -60.49 -37.49 81.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 1.2 111.052 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.71 -29.67 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.68 110.994 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -16.26 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.16 111.034 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.06 53.94 9.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 2.03 110.967 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.41 32.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.54 111.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.708 ' HA ' HD12 ' A' ' 37' ' ' LEU . 40.5 p-90 -65.59 -38.11 88.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.5 110.856 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -29.31 70.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 2.32 110.943 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.548 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 1.6 mp0 -72.03 -7.76 50.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 3.29 110.992 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.9 mt -93.97 -58.48 2.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.322 -0.399 . . . . 0.65 110.096 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 -56.08 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.41 111.109 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -61.34 -35.51 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.51 111.404 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -56.22 -34.29 66.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.513 -0.312 . . . . 0.47 111.356 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.3 m -102.05 4.82 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.396 -0.366 . . . . 0.5 110.896 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.46 102.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.893 -0.594 . . . . 2.14 111.13 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -132.7 157.59 44.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.03 110.997 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.451 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 39.3 m-85 -69.74 137.32 87.9 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 1.41 110.664 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 31.6 Cg_exo -59.97 -21.72 66.02 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.564 2.176 . . . . 1.32 112.471 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -68.41 -32.11 71.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.418 -0.355 . . . . 2.01 110.831 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -32.89 48.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 1.94 110.643 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.563 ' HA ' HD12 ' A' ' 51' ' ' ILE . 28.0 t -63.82 -32.68 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.88 110.925 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -46.56 89.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 2.44 111.055 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.85 -32.47 69.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 2.12 111.36 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 48' ' ' VAL . 16.3 mt -76.91 -47.98 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.47 111.212 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -54.09 -52.84 59.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 1.42 111.296 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -57.93 -41.01 81.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.93 111.245 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -41.34 97.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 2.48 111.21 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -60.12 -30.59 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 1.77 111.27 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.0 -30.91 68.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 3.02 111.162 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLY . 6.0 mtt180 -93.72 70.23 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 2.99 110.927 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ARG . . . 30.94 55.41 0.27 Allowed Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.657 -0.701 . . . . 2.05 113.517 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -129.94 -179.24 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.734 0.302 . . . . 5.55 111.104 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . 15.8 m -112.15 125.13 53.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 1.51 110.948 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.06 82.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.39 111.189 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -33.75 76.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.66 110.805 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.4 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 0.1 OUTLIER -60.67 -51.29 70.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 1.79 110.285 179.551 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.66 -38.2 88.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 1.72 110.406 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -56.63 -48.08 78.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.845 -0.616 . . . . 0.5 110.674 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.83 -34.27 77.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.65 110.891 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -64.0 -26.2 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 1.48 111.464 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.9 mt -94.98 -53.97 7.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.511 -0.313 . . . . 0.52 111.603 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -71.0 -11.57 61.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.63 111.008 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.533 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -130.4 58.63 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 1.08 112.474 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.34 -29.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.878 -0.677 . . . . 1.54 112.397 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -100.46 -44.01 6.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.861 0.362 . . . . 1.99 110.805 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -100.7 -26.78 13.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 1.53 110.784 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 65.44 145.64 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.005 -0.543 . . . . 3.1 111.361 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.401 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -161.41 -152.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 2.8 110.46 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.416 ' HB ' ' HB ' ' A' ' 10' ' ' THR . 73.4 p -144.76 158.91 43.6 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.835 0.35 . . . . 1.17 111.064 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.01 -17.81 21.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 1.25 111.317 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -63.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 2.24 110.919 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 m -55.87 -34.01 65.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 0.71 111.283 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 57.7 tp -61.22 -33.85 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.5 111.232 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.35 -60.01 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.73 111.177 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.12 -16.14 40.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.67 111.721 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 32.6 tp -66.29 -54.21 27.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.7 0.286 . . . . 1.23 111.033 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -58.56 -26.59 63.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.46 111.218 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -54.73 -18.28 4.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 1.59 111.177 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.3 -57.47 12.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 2.31 111.344 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mt -92.87 10.52 30.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 1.57 111.252 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt 54.4 51.24 14.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 2.87 110.874 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -89.1 79.0 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 1.31 111.104 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -54.89 -27.78 45.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.125 -0.489 . . . . 1.84 110.978 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 27.7 m120 -68.22 -56.12 9.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.98 110.916 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.14 -33.69 58.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 0.42 111.221 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -66.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 1.29 111.238 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -58.28 -17.02 16.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 3.39 111.402 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -40.06 89.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.472 -0.331 . . . . 0.79 110.962 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.83 49.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 1.29 111.285 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 -33.23 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 2.85 110.677 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.18 1.31 3.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 1.64 111.347 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.454 ' OH ' HG11 ' A' ' 20' ' ' VAL . 78.9 m-85 -110.79 -12.47 14.28 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.753 0.279 . . . . 1.13 111.753 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.2 m -97.54 170.29 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.758 0.313 . . . . 1.37 110.998 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.7 m -54.26 161.06 1.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 2.53 111.246 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.15 -5.78 48.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.062 -0.517 . . . . 4.26 110.863 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -5.48 18.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 3.15 110.949 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 104' ' ' LEU . 4.2 mm? -83.86 -11.7 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.91 110.746 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.419 ' HA ' HD12 ' A' ' 108' ' ' ILE . 2.2 m-70 -67.3 84.63 0.15 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 3.15 110.774 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.18 -40.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 3.43 110.997 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -90.74 -27.64 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.072 0.463 . . . . 2.46 110.349 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 105' ' ' HIS . 3.4 mt -52.4 126.33 37.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.459 -0.791 . . . . 2.67 111.267 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 108' ' ' ILE . 25.2 Cg_exo -62.45 134.86 50.32 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.447 2.098 . . . . 3.11 112.174 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.186 -0.911 . . . . 7.27 110.963 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.533 -0.227 . . . . 14.04 112.533 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.77 115.45 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 13.39 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -66.78 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 12.87 110.894 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.7 ttt 55.49 84.62 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 11.46 110.991 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 57.38 -165.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 7.75 110.848 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -157.42 152.37 25.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 7.53 111.04 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.84 151.3 26.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 5.67 110.799 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.49 -165.93 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 3.86 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.72 26.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 4.31 110.867 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.496 ' HB ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -145.17 155.02 43.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 1.93 111.228 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.6 ptm -57.78 129.38 41.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.23 111.173 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HA ' HG22 ' A' ' 76' ' ' THR . . . -51.91 155.27 1.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.08 -0.509 . . . . 0.62 111.117 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.417 HG21 ' HA3' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -56.19 -32.33 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.65 110.692 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -56.82 -34.86 68.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.52 . . . . 2.82 110.315 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.22 -40.47 96.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.88 -0.6 . . . . 1.51 110.491 179.49 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -53.5 112.14 3.41 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.824 -0.625 . . . . 0.93 110.822 179.652 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD2' HD13 ' A' ' 16' ' ' LEU . 37.7 Cg_exo -57.84 120.83 8.98 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.254 1.969 . . . . 0.48 112.007 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.41 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 3.6 mt -54.12 -48.26 94.74 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.157 -0.474 . . . . 1.64 111.679 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 73.1 Cg_exo -48.71 -29.37 14.38 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.228 1.952 . . . . 0.59 112.455 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.04 -35.87 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.65 111.065 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.488 ' NH1' HD21 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.59 -30.3 68.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 3.62 110.945 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -20.88 29.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.48 111.488 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -55.57 12.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 2.14 111.016 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.601 HD23 HD13 ' A' ' 95' ' ' LEU . 2.5 tm? -74.66 -30.77 61.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 1.51 110.815 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.7 m -59.01 -45.54 90.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.003 0.43 . . . . 0.55 110.458 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.1 99.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.823 -0.626 . . . . 0.52 110.847 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -59.83 -54.75 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.531 -0.759 . . . . 0.72 111.021 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 24' ' ' LEU . 3.7 mm? -58.52 -29.27 66.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 1.09 110.938 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -72.01 -34.2 68.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.2 110.893 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.51 81.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.68 110.982 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.43 -8.76 55.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 1.16 110.91 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 53.68 63.76 2.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 2.03 111.16 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 m -137.26 19.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.54 111.142 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 20.5 p-90 -61.51 -35.62 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.5 110.926 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -63.22 -33.27 75.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 2.32 110.877 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.19 -31.19 65.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 3.29 110.909 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.44 -56.46 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.65 110.521 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -58.36 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 0.41 111.431 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -60.36 -33.3 72.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.51 111.718 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.64 -34.28 64.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.46 -0.336 . . . . 0.47 111.445 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -104.58 5.55 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.5 111.104 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.85 94.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 2.14 111.024 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.94 161.79 28.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 1.03 110.795 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 47.7 m-85 -69.7 137.47 88.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 1.41 110.628 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 32.5 Cg_exo -58.66 -21.04 53.67 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.478 2.119 . . . . 1.32 112.349 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -30.31 65.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 2.01 110.577 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -78.41 -42.23 30.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 1.94 110.531 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 51' ' ' ILE . 21.1 t -63.98 -40.18 88.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.046 -0.525 . . . . 0.88 110.844 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -60.25 -40.0 88.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.92 -0.582 . . . . 2.44 110.886 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.87 67.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 2.12 110.968 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 48' ' ' VAL . 21.5 mt -73.13 -49.61 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.47 111.159 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -33.79 58.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 1.42 111.109 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -68.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.93 111.11 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -61.1 -24.28 66.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 2.48 111.044 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -60.78 -34.42 74.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 1.77 111.012 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -60.18 -34.33 73.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 3.02 111.038 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -149.2 75.22 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 2.99 110.963 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.03 -104.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.865 -0.683 . . . . 2.05 112.376 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -144.34 -70.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.733 0.301 . . . . 5.55 110.894 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.1 139.16 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 1.51 110.883 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.97 90.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.39 111.385 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 m -64.24 -30.05 71.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.66 111.014 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.9 -55.89 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 1.79 110.889 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -64.98 -37.87 89.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 1.72 110.736 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -57.62 -46.54 83.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.5 110.869 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.3 -36.86 85.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.65 111.213 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.88 -29.11 70.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 1.48 111.634 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mt -88.41 -54.81 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.52 111.718 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -69.92 -15.1 63.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.63 110.926 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -117.7 58.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 1.08 112.551 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -166.26 -32.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.73 -0.748 . . . . 1.54 112.422 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -113.92 11.62 17.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 1.99 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -121.44 -23.34 5.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 1.53 110.85 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 56.2 45.35 23.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.143 -0.48 . . . . 3.1 111.244 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -77.5 -162.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 2.8 110.684 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 12' ' ' ALA . 30.4 p -144.99 172.56 12.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.391 -0.368 . . . . 1.17 110.707 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.496 HG22 ' HB ' ' A' ' 10' ' ' THR . 29.3 m -63.94 -17.36 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 1.25 111.15 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.41 -63.63 1.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 2.24 110.946 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -53.97 -35.51 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.71 111.177 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.488 HD21 ' NH1' ' A' ' 21' ' ' ARG . 31.8 tp -60.77 -50.99 71.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.5 110.949 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -61.38 -54.43 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.73 111.309 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.447 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -60.28 -23.84 64.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.67 111.729 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.36 -44.93 81.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.563 -0.29 . . . . 1.23 111.161 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -58.85 -32.52 69.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.46 111.225 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.447 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -53.35 -43.3 67.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 1.59 111.109 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -60.0 -30.94 69.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 2.31 111.177 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.08 -6.57 47.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 1.57 110.941 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt 57.03 43.0 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 2.87 111.17 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.6 mt -89.28 80.07 6.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 1.31 110.897 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -54.88 -34.95 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 1.84 111.148 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.64 -55.97 8.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 1.98 110.931 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.63 47.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 0.42 111.126 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 mtm -58.62 -66.53 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 1.29 110.858 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.463 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 7.2 ptm180 -58.77 -21.73 56.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.142 -0.481 . . . . 3.39 110.8 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.601 HD13 HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.36 -35.11 79.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.79 110.975 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.447 HG22 HH22 ' A' ' 21' ' ' ARG . 1.8 pt -118.21 25.92 4.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 1.29 111.094 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -87.45 76.66 8.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.089 -0.505 . . . . 2.85 111.012 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -176.4 -19.63 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 1.64 111.556 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.464 ' O ' HG21 ' A' ' 77' ' ' VAL . 56.2 m-85 -104.04 3.7 33.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.716 0.293 . . . . 1.13 111.045 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -175.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 1.37 111.225 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.5 t -54.29 154.6 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 2.53 111.224 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -81.85 -5.36 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 4.26 110.988 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.05 -18.8 65.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 3.15 110.95 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.409 HD13 ' HZ1' ' A' ' 97' ' ' LYS . 1.5 mt -84.78 -16.19 42.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 1.91 110.978 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -70.19 79.43 0.52 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.423 -0.353 . . . . 3.15 110.654 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.23 7.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.422 -0.354 . . . . 3.43 111.596 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -153.12 12.96 0.49 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.019 -0.272 . . . . 2.46 111.68 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.4 113.73 8.26 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.754 -0.203 . . . . 2.67 110.616 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.82 139.93 84.49 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.388 2.059 . . . . 3.11 112.452 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HD3' HH11 ' A' ' 110' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.211 -0.9 . . . . 7.27 111.027 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.508 -0.237 . . . . 14.04 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.82 123.89 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.829 0.347 . . . . 13.39 111.145 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.9 t60 61.65 105.06 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.013 -0.54 . . . . 12.87 111.096 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 29.6 mtt -90.84 -72.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 11.46 110.913 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 p -125.8 117.54 23.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 7.75 110.97 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -73.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 7.53 111.013 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.71 168.77 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 5.67 110.901 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 57.27 86.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 3.86 110.889 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -97.16 120.42 37.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 4.31 111.011 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.87 164.17 13.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 1.93 111.015 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.9 ptm -57.11 127.49 32.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.155 -0.475 . . . . 1.23 110.895 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.77 145.43 9.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.62 111.128 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.691 HD12 ' HB3' ' A' ' 75' ' ' HIS . 1.4 mt -55.72 -26.72 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.65 110.739 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -54.63 -38.94 67.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 2.82 110.606 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -40.12 94.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 1.51 110.782 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD23 HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -51.42 108.75 1.13 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.024 -0.534 . . . . 0.93 111.08 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.21 128.8 28.65 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.349 2.033 . . . . 0.48 112.329 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.612 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -62.45 -49.9 81.45 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.173 -0.467 . . . . 1.64 111.685 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.1 Cg_endo -53.35 -30.41 52.34 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.142 1.894 . . . . 0.59 112.366 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.25 -37.82 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.65 110.79 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' HE ' ' HB3' ' A' ' 66' ' ' LEU . 4.7 ttp180 -61.06 -34.4 74.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.994 -0.548 . . . . 3.62 110.787 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -24.12 49.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 0.48 111.223 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -67.14 -46.45 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 2.14 110.576 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD21 ' CE2' ' A' ' 84' ' ' PHE . 37.6 tp -72.4 -37.89 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 1.51 110.651 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.7 m -59.59 -39.42 84.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.55 110.188 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.92 99.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 0.52 110.515 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -60.07 -51.33 70.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.451 -0.795 . . . . 0.72 110.683 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.58 -36.4 76.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.847 -0.615 . . . . 1.09 111.077 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.0 -32.97 74.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 1.2 110.899 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.79 81.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.68 111.132 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -9.88 58.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 1.16 111.05 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 55.12 57.06 5.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 2.03 110.979 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.85 31.27 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.54 110.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.63 ' HA ' HD12 ' A' ' 37' ' ' LEU . 49.1 p-90 -70.1 -35.93 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.5 110.87 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.6 -30.32 71.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 2.32 110.874 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -71.96 -29.36 64.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 3.29 110.861 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 34' ' ' TRP . 13.1 mt -65.65 -59.66 3.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.368 -0.378 . . . . 0.65 110.263 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.87 38.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 0.41 111.194 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -61.28 -35.74 78.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.51 111.397 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.36 -33.27 65.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.4 -0.364 . . . . 0.47 111.047 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.517 HG23 ' HG ' ' A' ' 43' ' ' LEU . 35.6 m -103.39 1.57 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.5 110.585 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.53 93.08 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.685 -0.688 . . . . 2.14 111.346 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.517 ' HG ' HG23 ' A' ' 41' ' ' VAL . 48.9 mt -117.95 156.03 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 1.03 110.69 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' VAL . 62.7 m-85 -69.86 128.77 91.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 1.41 110.817 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.56 -24.04 34.73 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.392 2.061 . . . . 1.32 112.437 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -37.97 68.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.429 . . . . 2.01 110.787 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -36.46 45.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.94 110.849 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' TYR . 16.3 t -64.87 -24.97 36.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.88 110.935 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.48 -32.62 70.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.976 -0.556 . . . . 2.44 111.016 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -59.64 -33.66 71.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 2.12 110.984 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.7 mt -75.91 -51.83 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.47 111.306 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -43.78 72.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 1.42 111.272 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -58.55 -57.17 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.93 111.368 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.59 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -61.85 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 2.48 110.83 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.705 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -60.46 -33.7 72.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.77 111.16 -179.686 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -13.71 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 3.02 111.185 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.97 92.59 1.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 2.99 110.885 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.06 -23.49 5.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 2.05 112.589 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.445 ' HB3' ' H ' ' A' ' 60' ' ' SER . 27.5 mmt180 56.86 -156.78 0.29 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.678 0.275 . . . . 5.55 110.825 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.445 ' H ' ' HB3' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 57.54 55.02 5.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.02 0.438 . . . . 1.51 110.794 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.705 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.22 -29.53 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.936 -0.575 . . . . 0.39 111.181 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -64.81 -36.13 83.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.66 111.054 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -53.01 62.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 1.79 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.59 ' HG3' ' HG2' ' A' ' 54' ' ' GLN . 15.2 mm-40 -64.39 -42.26 96.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 1.72 110.902 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -56.61 -44.3 81.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.5 110.797 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB3' ' HE ' ' A' ' 21' ' ' ARG . 1.1 mm? -65.35 -33.95 77.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.65 111.197 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.52 -52.64 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 1.48 111.631 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 64' ' ' GLU . 3.3 mt -70.62 -50.11 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.52 111.872 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -70.11 -63.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.63 111.009 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.458 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -83.6 87.21 1.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.65 -0.786 . . . . 1.08 112.562 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 158.53 -34.03 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 1.54 112.526 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -96.36 -39.5 9.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 1.99 111.03 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -81.0 -2.16 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 1.53 110.946 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 55.49 47.52 20.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.028 0.442 . . . . 3.1 110.7 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.691 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -76.79 -163.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 2.8 111.019 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 61.6 p -143.64 161.98 37.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.37 -0.377 . . . . 1.17 110.854 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 99' ' ' TYR . 28.6 m -63.95 -14.55 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.995 -0.548 . . . . 1.25 111.787 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -58.27 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 2.24 111.12 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.0 m -53.75 -36.74 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.71 111.379 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.16 -38.21 85.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.5 110.852 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -61.41 -58.33 8.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.73 110.853 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.83 -18.03 58.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.938 -0.574 . . . . 0.67 111.437 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.602 HD22 HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -65.83 -59.96 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 1.23 111.028 -179.831 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.49 ' CE2' HD21 ' A' ' 24' ' ' LEU . 26.2 m-85 -57.86 -27.27 63.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.233 -0.44 . . . . 0.46 111.181 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -53.1 -35.68 59.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 1.59 110.934 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -40.71 84.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 2.31 110.892 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -93.33 -0.44 56.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.57 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 56.46 46.01 21.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 2.87 110.908 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 80.0 mt -89.3 76.47 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.31 110.917 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -33.87 60.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 1.84 111.022 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.91 -50.41 66.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 1.98 111.097 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.12 -37.67 61.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.42 111.381 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.0 mtt -59.91 -45.28 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 1.29 111.131 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -58.25 -20.76 44.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 3.39 111.637 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 92' ' ' ALA . 0.6 OUTLIER -76.88 -36.24 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.567 -0.288 . . . . 0.79 111.196 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.92 64.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 1.29 111.411 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -103.05 -49.12 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 2.85 110.648 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.82 10.35 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 1.64 111.318 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.504 ' O ' HG21 ' A' ' 77' ' ' VAL . 92.1 m-85 -113.99 -6.55 13.15 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.203 0.445 . . . . 1.13 112.203 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.583 ' HB ' HD13 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -96.87 -175.84 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.834 0.349 . . . . 1.37 111.137 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.2 157.65 1.82 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 2.53 111.442 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 17.9 pt-20 -75.62 -9.22 58.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.977 -0.556 . . . . 4.26 110.875 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.61 -25.2 65.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.292 -0.413 . . . . 3.15 110.743 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.583 HD13 ' HB ' ' A' ' 100' ' ' VAL . 2.9 mp -85.39 -9.33 57.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 1.91 111.271 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.477 ' HA ' HD13 ' A' ' 108' ' ' ILE . 8.0 m80 -70.44 83.87 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 3.15 110.777 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.39 -32.28 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 3.43 110.943 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -90.34 -17.13 27.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 2.46 110.478 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.4 mp -51.75 127.67 34.46 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.646 -0.706 . . . . 2.67 111.003 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.584 ' HB2' ' HE ' ' A' ' 110' ' ' ARG . 90.3 Cg_endo -79.36 149.62 21.81 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.516 2.144 . . . . 3.11 112.516 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.584 ' HE ' ' HB2' ' A' ' 109' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.322 -0.846 . . . . 7.27 111.084 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.471 -0.252 . . . . 14.04 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -144.45 -39.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 13.39 110.891 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -44.89 63.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 12.87 110.813 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.7 mmm -110.93 -175.65 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 11.46 110.812 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t 55.69 70.09 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 7.75 111.08 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 58.97 -174.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.006 -0.543 . . . . 7.53 111.168 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.67 -170.43 2.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.063 -0.517 . . . . 5.67 110.831 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.26 136.54 57.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 3.86 110.797 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -90.03 68.12 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 4.31 111.137 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.58 136.55 54.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 1.93 111.082 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.423 ' HB2' HD13 ' A' ' 15' ' ' LEU . 4.7 ptm -56.85 123.75 16.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 1.23 111.185 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.35 153.02 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.62 110.654 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -53.7 -27.85 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 0.65 110.632 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -33.73 64.87 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.056 -0.52 . . . . 2.82 110.716 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 11' ' ' MET . 0.4 OUTLIER -67.89 -40.86 83.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.449 . . . . 1.51 110.493 179.625 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.06 109.58 1.55 Allowed Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 115.969 -0.56 . . . . 0.93 110.75 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.22 132.55 52.61 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.348 2.032 . . . . 0.48 112.266 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.9 tp -60.41 -47.86 95.31 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.036 -0.529 . . . . 1.64 111.59 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 72.8 Cg_exo -50.06 -30.98 26.45 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.123 1.882 . . . . 0.59 112.47 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 t -86.14 -36.9 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.65 111.03 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.641 HH22 HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.78 -36.58 79.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 3.62 110.805 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.99 -17.81 19.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.037 -0.529 . . . . 0.48 111.564 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.34 -64.05 0.93 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.459 -0.337 . . . . 2.14 111.131 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.641 HD23 HH22 ' A' ' 21' ' ' ARG . 47.8 tp -70.45 -29.04 65.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 1.51 111.087 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.5 m -60.7 -46.2 91.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.393 . . . . 0.55 110.441 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.32 93.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.538 . . . . 0.52 110.835 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -59.12 -55.5 34.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.57 -0.741 . . . . 0.72 111.162 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.588 HD11 HD13 ' A' ' 89' ' ' LEU . 4.6 mm? -60.48 -46.37 90.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 1.09 111.254 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.04 -18.99 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 1.2 111.319 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.05 86.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.68 110.933 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.74 0.16 11.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 1.16 110.968 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.05 46.58 16.07 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.169 -0.469 . . . . 2.03 110.711 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.77 22.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.869 -0.605 . . . . 0.54 111.275 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.688 ' HA ' HD12 ' A' ' 37' ' ' LEU . 63.4 p-90 -58.23 -30.09 66.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.5 110.959 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.27 -28.27 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 2.32 110.882 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -72.28 -38.06 68.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 3.29 110.893 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.7 mt -60.93 -58.49 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.35 -0.386 . . . . 0.65 110.955 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.8 -58.1 6.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.41 111.617 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -60.93 -32.94 72.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.51 111.91 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.06 -34.39 65.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.768 0.318 . . . . 0.47 111.32 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.1 m -102.64 3.79 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.303 -0.408 . . . . 0.5 110.847 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.76 93.17 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.949 -0.569 . . . . 2.14 110.981 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -120.13 161.86 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 1.03 110.93 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 62.4 m-85 -69.47 136.71 88.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.41 110.465 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 47.7 Cg_exo -57.78 -18.05 32.29 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.472 2.114 . . . . 1.32 112.206 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.83 -34.66 62.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.504 . . . . 2.01 110.547 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.77 -38.82 45.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 1.94 110.468 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.526 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.7 t -63.76 -42.36 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 0.88 110.643 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -41.08 94.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.546 . . . . 2.44 110.575 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.03 -43.31 95.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.831 -0.622 . . . . 2.12 110.858 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 48' ' ' VAL . 20.6 mt -62.97 -49.64 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.47 111.246 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 t -53.76 -38.28 64.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 1.42 111.178 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -59.19 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.93 111.212 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.86 -31.2 70.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 2.48 111.199 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.5 ttmt -59.94 -40.74 89.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 1.77 110.952 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -60.45 -26.63 66.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 3.02 111.289 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -93.2 70.37 4.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.35 . . . . 2.99 110.963 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 38.23 65.29 0.72 Allowed Glycine 0 C--N 1.332 0.334 0 CA-C-N 115.613 -0.722 . . . . 2.05 113.458 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -146.6 -176.58 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 5.55 111.067 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.3 122.24 42.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 1.51 110.896 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.543 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.31 -36.96 81.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.39 111.197 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.8 m -65.32 -40.47 93.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.66 110.769 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.47 -52.02 66.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 1.79 110.611 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.46 ' HB3' HG23 ' A' ' 51' ' ' ILE . 12.5 tp10 -65.21 -37.4 87.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 1.72 110.701 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.98 -46.59 84.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.066 -0.515 . . . . 0.5 110.662 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.91 -30.78 71.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.65 110.867 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -62.71 -64.04 1.04 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 1.48 110.941 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.76 -39.78 80.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.52 111.316 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -71.45 -18.44 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.63 110.673 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.24 56.21 0.49 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.946 -0.645 . . . . 1.08 112.499 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.47 -37.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 1.54 112.469 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.41 -26.95 26.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 1.99 110.787 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -111.9 -25.57 9.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 1.53 110.767 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 57.25 47.74 16.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 3.1 111.125 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -77.07 150.36 35.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 2.8 110.474 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.1 p -88.08 171.7 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.364 . . . . 1.17 111.205 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.4 m -63.03 -20.67 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 1.25 111.116 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.4 -54.47 43.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 2.24 110.66 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 m -55.6 -35.34 65.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.71 111.001 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 58.5 tp -61.13 -35.21 76.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.5 110.728 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -62.3 -52.77 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.73 110.87 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.01 -17.91 58.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.988 -0.551 . . . . 0.67 111.687 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 51.3 tp -65.75 -64.2 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.425 -0.352 . . . . 1.23 111.0 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.46 ' HB3' HD12 ' A' ' 89' ' ' LEU . 32.2 m-85 -58.57 -26.96 64.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.46 111.218 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -53.96 -25.35 20.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.244 -0.435 . . . . 1.59 111.112 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -58.44 -47.33 84.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 2.31 111.218 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -93.23 2.32 56.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.378 . . . . 1.57 111.107 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? 56.36 52.87 9.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 2.87 110.999 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 28' ' ' LEU . 2.6 mt -88.92 80.69 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.31 110.813 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -54.13 -29.54 45.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 1.84 111.138 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -72.58 -55.68 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 1.98 111.067 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.98 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.42 111.319 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.9 mtp -58.93 -56.0 27.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 1.29 111.003 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -57.46 -26.03 60.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.936 -0.574 . . . . 3.39 111.301 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.489 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.0 -34.61 78.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.43 -0.35 . . . . 0.79 111.335 -179.609 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.53 30.73 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 1.29 111.633 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.45 -18.48 29.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.348 . . . . 2.85 110.677 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -67.3 -5.66 15.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 1.64 111.118 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.23 -38.74 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 1.13 110.848 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.7 m -97.68 165.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 1.37 110.773 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.7 p -179.96 29.2 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.329 0.492 . . . . 2.53 112.329 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.38 -68.23 0.81 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.916 0.389 . . . . 4.26 111.235 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.16 -33.42 59.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 3.15 112.136 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.409 ' HB2' ' HE1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -82.24 -6.17 59.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.996 0.369 . . . . 1.91 111.996 -178.585 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.548 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -70.83 82.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 3.15 110.899 179.477 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.37 1.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.016 -0.538 . . . . 3.43 110.926 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.409 ' HE1' ' HB2' ' A' ' 104' ' ' LEU . 24.0 p90 -151.46 9.99 0.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.442 -0.345 . . . . 2.46 111.642 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.548 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.6 mp -58.25 120.22 41.91 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.765 -0.198 . . . . 2.67 110.58 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.41 148.43 92.97 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.496 2.13 . . . . 3.11 112.126 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.195 -0.907 . . . . 7.27 110.833 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.444 -0.262 . . . . 14.04 112.444 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.39 -67.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.349 . . . . 13.39 110.854 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -98.41 74.59 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 12.87 110.826 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.7 mtt -135.74 154.65 51.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 11.46 110.918 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.29 177.88 7.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 7.75 110.88 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -86.63 97.21 10.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 7.53 111.066 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.57 176.62 6.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 5.67 110.706 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -141.09 148.98 40.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 3.86 110.971 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.97 130.6 37.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.499 . . . . 4.31 110.877 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 p -138.19 -90.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 1.93 111.093 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.65 119.16 2.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 1.23 110.859 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.65 154.85 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.62 111.175 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.565 HG21 ' HA3' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -55.1 -29.44 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.67 . . . . 0.65 110.927 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -55.64 -31.3 62.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.353 -0.385 . . . . 2.82 110.806 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.93 -38.38 61.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 1.51 110.741 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.76 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -52.33 113.13 3.98 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.083 -0.508 . . . . 0.93 110.878 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HB2' HG23 ' A' ' 20' ' ' VAL . 51.1 Cg_exo -54.17 124.15 15.29 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.369 2.046 . . . . 0.48 112.204 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.613 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -54.07 -49.73 88.28 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.117 -0.492 . . . . 1.64 111.758 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.9 Cg_endo -50.98 -27.77 22.15 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.329 2.019 . . . . 0.59 112.586 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.51 HG23 ' HB2' ' A' ' 17' ' ' PRO . 27.6 t -85.59 -37.54 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.65 110.944 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.76 ' HG2' HD12 ' A' ' 16' ' ' LEU . 1.7 mmp_? -61.13 -40.8 95.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 3.62 110.951 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -20.75 25.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.999 -0.546 . . . . 0.48 111.778 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -55.83 11.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.509 -0.314 . . . . 2.14 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 95' ' ' LEU . 42.8 tp -70.15 -34.41 72.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.375 . . . . 1.51 110.509 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.8 m -59.87 -38.38 82.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.55 110.282 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.96 95.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.52 110.608 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -60.86 -50.23 74.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.762 -0.653 . . . . 0.72 110.694 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -60.0 -22.23 62.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.799 -0.637 . . . . 1.09 111.121 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -72.63 -35.62 67.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 1.2 110.965 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.58 76.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.68 111.043 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mp -72.0 -10.96 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.16 111.086 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 54.46 34.88 21.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.139 -0.482 . . . . 2.03 110.81 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 m -108.04 26.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.54 111.245 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.68 ' HA ' HD12 ' A' ' 37' ' ' LEU . 31.5 p-90 -66.81 -38.14 85.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.5 110.945 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -29.12 70.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 2.32 111.035 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -71.89 -37.74 70.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 3.29 110.92 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.0 mt -61.42 -56.77 16.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.387 -0.369 . . . . 0.65 110.606 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.9 -58.46 5.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.982 -0.554 . . . . 0.41 111.531 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -60.32 -36.1 77.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.51 111.573 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.01 -34.9 66.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.848 0.356 . . . . 0.47 111.187 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.61 5.61 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.5 110.868 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 tptt 57.74 96.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.036 -0.529 . . . . 2.14 110.997 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mt -119.72 162.68 18.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 1.03 110.868 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 78.4 m-85 -69.88 135.2 87.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 1.41 110.685 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 36.1 Cg_exo -59.42 -21.05 59.45 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.503 2.135 . . . . 1.32 112.368 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -77.96 -26.0 48.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 2.01 110.636 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -78.04 -30.78 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 1.94 110.584 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.435 ' HA ' HD12 ' A' ' 51' ' ' ILE . 21.5 t -63.39 -41.07 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 0.88 110.668 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -40.82 94.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 2.44 110.795 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.99 -35.54 73.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 2.12 110.945 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 48' ' ' VAL . 23.8 mt -74.12 -56.28 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.47 111.339 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -53.0 -32.35 45.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 1.42 111.078 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 t -59.77 -68.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.93 111.153 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -62.75 -15.3 52.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 2.48 111.46 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.02 -58.27 9.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.475 -0.33 . . . . 1.77 111.337 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -11.63 9.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.35 -0.386 . . . . 3.02 111.405 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -92.1 70.36 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 2.99 110.91 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.38 46.94 1.49 Allowed Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.635 -0.711 . . . . 2.05 113.396 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mmt-85 -143.27 174.71 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 5.55 111.181 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.7 m -110.97 136.11 50.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 1.51 110.876 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.55 -38.06 86.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.39 111.454 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.4 m -64.69 -32.08 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.66 111.337 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -60.84 -58.13 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 1.79 111.199 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -64.49 -37.12 86.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.72 110.767 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -57.85 -41.54 82.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.5 110.778 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -42.55 94.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.65 111.308 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -62.74 -42.61 99.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.333 -0.394 . . . . 1.48 111.541 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.0 mt -72.43 -51.07 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.52 111.72 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -70.75 -16.25 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.63 110.932 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.565 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -132.08 57.81 0.71 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 1.08 112.452 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.58 -45.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.737 -0.744 . . . . 1.54 112.587 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -102.19 -31.29 10.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.8 0.333 . . . . 1.99 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -95.07 -22.7 17.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 1.53 110.807 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t30 65.43 143.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.989 -0.551 . . . . 3.1 111.151 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.68 -156.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 2.8 110.853 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.548 ' HB ' ' HG2' ' A' ' 78' ' ' GLN . 0.6 OUTLIER -147.88 158.33 43.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.9 0.381 . . . . 1.17 111.198 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.492 HG11 HD23 ' A' ' 16' ' ' LEU . 19.2 m -64.85 -31.87 55.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.03 -0.532 . . . . 1.25 111.96 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.548 ' HG2' ' HB ' ' A' ' 76' ' ' THR . 7.2 pt20 -54.82 -49.26 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 2.24 111.049 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.1 m -55.92 -34.04 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.71 111.568 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.98 -39.23 88.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.5 111.143 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.36 -56.92 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.73 110.952 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.582 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -61.99 -17.43 57.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.67 111.57 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.8 tp -67.63 -54.85 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.41 -0.359 . . . . 1.23 111.509 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -57.62 -18.1 18.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.46 111.851 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.582 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mmtm -53.53 -41.67 66.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 1.59 110.988 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.46 -36.09 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 2.31 111.244 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 mt -92.37 -7.3 48.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 1.57 111.064 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.64 31.93 20.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 2.87 111.215 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 73.5 mt -89.43 70.47 8.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 1.31 110.715 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -54.34 -35.22 62.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 1.84 111.294 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.477 ' HA ' ' HG3' ' A' ' 94' ' ' ARG . 14.1 p-10 -58.8 -47.28 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 1.98 111.227 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.6 -43.34 72.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.442 . . . . 0.42 111.349 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.8 mtt -59.42 -33.7 71.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 1.29 111.367 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.477 ' HG3' ' HA ' ' A' ' 91' ' ' ASN . 3.5 mmm180 -58.63 -20.65 49.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 3.39 111.559 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.56 ' HB2' HD13 ' A' ' 24' ' ' LEU . 5.6 mp -85.11 -21.74 29.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.49 -0.323 . . . . 0.79 111.292 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.98 64.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 1.29 111.235 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 94' ' ' ARG . 4.0 mttp -104.58 -52.45 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 2.85 111.002 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.92 6.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.64 111.547 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.412 ' H ' ' C ' ' A' ' 97' ' ' LYS . 39.9 m-85 -108.73 -18.92 13.59 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.708 -0.224 . . . . 1.13 111.364 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.6 m -97.98 -173.3 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 1.37 111.372 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.07 164.37 0.64 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.008 -0.542 . . . . 2.53 111.417 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.69 -5.38 53.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.96 -0.564 . . . . 4.26 110.926 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -23.16 66.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 3.15 110.691 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 mp -84.99 -21.2 29.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 1.91 110.867 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.571 ' HA ' HD13 ' A' ' 108' ' ' ILE . 14.4 m-70 -67.76 84.19 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.313 -0.403 . . . . 3.15 110.703 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.32 -40.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 3.43 111.086 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -90.14 -10.75 43.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.017 0.437 . . . . 2.46 110.469 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.571 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.7 mp -51.78 112.81 3.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.513 -0.767 . . . . 2.67 111.047 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.48 172.08 8.42 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.463 2.109 . . . . 3.11 112.019 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 110' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.206 -0.902 . . . . 7.27 110.833 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.432 -0.267 . . . . 14.04 112.432 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 m -112.09 -3.33 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 13.39 110.821 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.36 -71.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 12.87 110.982 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.02 121.04 20.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 11.46 110.9 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -99.56 -56.59 2.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 7.75 110.903 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 54.11 81.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 7.53 110.945 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp 57.5 -94.47 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.029 -0.532 . . . . 5.67 111.0 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.73 82.67 0.2 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.982 0.42 . . . . 3.86 110.957 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -115.46 132.28 56.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 4.31 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.68 -178.19 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 1.93 111.085 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -55.98 135.77 52.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 1.23 111.119 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.81 142.15 15.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.225 0.536 . . . . 0.62 111.351 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -57.53 -33.38 44.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.272 -0.876 . . . . 0.65 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -31.93 62.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.411 . . . . 2.82 110.9 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.44 -33.09 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 1.51 110.915 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 110.63 1.86 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.93 111.033 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.89 121.18 7.69 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.483 2.122 . . . . 0.48 112.46 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.604 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.9 tp -58.21 -48.75 96.46 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.026 -0.534 . . . . 1.64 111.792 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.5 Cg_endo -53.86 -24.68 32.19 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.102 1.868 . . . . 0.59 112.444 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -86.21 -42.55 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.403 -0.362 . . . . 0.65 110.706 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' NH1' HD22 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -60.34 -38.16 82.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 3.62 110.887 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.42 -22.43 31.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.48 111.743 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -67.41 -35.28 78.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 2.14 110.789 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.624 HD12 ' HB3' ' A' ' 95' ' ' LEU . 8.0 tt -90.6 -34.87 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 1.51 110.889 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.1 m -59.26 -40.94 87.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.55 110.445 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.07 97.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.961 -0.563 . . . . 0.52 110.85 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -62.4 -56.87 14.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.8 -0.636 . . . . 0.72 111.17 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.69 -42.74 89.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.977 -0.556 . . . . 1.09 111.223 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.08 -27.61 69.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 1.2 111.073 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.92 -36.72 80.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.68 110.913 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mp -72.26 -0.06 11.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 1.16 110.919 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 56.15 56.55 5.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.165 -0.471 . . . . 2.03 110.8 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.39 23.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.541 . . . . 0.54 111.221 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -58.81 -35.2 72.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.5 110.996 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -28.29 69.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 2.32 110.829 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.24 -32.12 66.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.015 -0.539 . . . . 3.29 110.427 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.698 HD23 HD21 ' A' ' 83' ' ' LEU . 1.4 mt -67.66 -56.68 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 0.65 110.348 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.33 -56.37 15.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.41 111.291 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.4 m -60.91 -32.63 72.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.51 111.667 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -55.57 -32.97 63.46 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.575 -0.284 . . . . 0.47 111.379 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' HG ' ' A' ' 43' ' ' LEU . 3.7 m -104.82 5.96 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.441 -0.345 . . . . 0.5 111.222 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt 57.14 94.16 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.079 -0.51 . . . . 2.14 111.11 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.547 HD11 ' HE1' ' A' ' 65' ' ' PHE . 81.3 mt -119.88 153.26 36.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 1.03 110.971 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' VAL . 94.2 m-85 -69.27 131.8 90.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.41 110.625 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.43 -13.28 16.27 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.456 2.104 . . . . 1.32 112.402 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -84.79 -36.35 21.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 2.01 110.829 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -37.63 41.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 1.94 110.762 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 44' ' ' TYR . 25.8 t -64.42 -23.4 33.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 0.88 110.967 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -30.5 68.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 2.44 110.811 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -59.82 -42.01 92.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 2.12 111.077 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.8 mt -70.29 -51.99 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.47 111.312 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 p -53.34 -24.67 12.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 1.42 111.181 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 56' ' ' GLN . 7.6 t -57.4 -67.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.93 110.704 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -62.3 -32.05 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 2.48 110.749 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.561 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 2.8 ttpt -59.97 -21.43 61.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 1.77 111.2 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -61.96 -4.34 1.57 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.335 -0.393 . . . . 3.02 111.531 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -148.64 71.64 1.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.823 0.344 . . . . 2.99 111.428 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.26 82.13 0.03 OUTLIER Glycine 0 C--N 1.333 0.362 0 CA-C-N 116.055 -0.52 . . . . 2.05 113.324 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.561 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . 6.8 mmt180 -142.66 138.29 30.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 5.55 110.977 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.1 t -69.86 96.8 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 1.51 110.984 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.83 83.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.39 111.483 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 m -64.94 -37.06 86.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.327 -0.397 . . . . 0.66 111.163 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.41 -54.7 42.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 1.79 110.769 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.98 -37.68 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 1.72 110.582 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' HE1' HD11 ' A' ' 43' ' ' LEU . 21.5 t80 -56.32 -45.0 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.5 110.719 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -42.06 96.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.65 111.083 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -63.13 -27.63 69.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 1.48 111.73 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.06 -32.44 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.814 0.301 . . . . 0.52 111.814 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -72.77 -20.86 61.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.474 -0.33 . . . . 0.63 111.301 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.04 18.88 5.26 Favored Glycine 0 N--CA 1.454 -0.128 0 C-N-CA 120.686 -0.769 . . . . 1.08 112.57 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.57 -3.88 18.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 1.54 112.599 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -152.12 3.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 1.99 111.043 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -120.98 -29.33 4.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.428 . . . . 1.53 111.11 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.5 120.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.485 . . . . 3.1 110.843 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.23 -153.71 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 2.8 110.997 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.1 p -143.63 158.85 43.36 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.84 0.352 . . . . 1.17 111.154 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 99' ' ' TYR . 3.3 m -64.37 -14.11 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 1.25 111.743 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -54.97 40.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 2.24 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.4 m -55.37 -34.89 64.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.71 110.992 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.451 HD22 ' NH1' ' A' ' 21' ' ' ARG . 37.5 tp -60.84 -35.04 75.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.5 110.791 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -62.1 -60.46 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.73 111.056 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.65 -17.99 57.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.075 -0.512 . . . . 0.67 111.563 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.698 HD21 HD23 ' A' ' 37' ' ' LEU . 2.1 tp -65.19 -60.97 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 1.23 111.046 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -59.0 -32.13 69.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.456 -0.338 . . . . 0.46 111.025 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -26.67 28.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.191 -0.459 . . . . 1.59 111.496 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -57.99 -48.48 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 2.31 111.076 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.44 3.51 55.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 1.57 111.13 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt 56.51 53.29 8.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 2.87 111.108 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.76 79.29 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 1.31 110.672 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -34.3 57.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.937 -0.574 . . . . 1.84 111.373 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -64.31 -58.96 5.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 1.98 111.063 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.59 -33.36 60.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.42 111.33 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.3 mmm -59.7 -59.08 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.29 111.831 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -56.22 -24.66 43.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.587 -0.279 . . . . 3.39 111.577 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -67.26 -35.81 80.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 0.79 110.833 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.2 pt -121.9 40.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.309 -0.405 . . . . 1.29 111.062 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -99.99 54.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 2.85 111.117 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -172.91 8.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 1.64 111.775 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.508 ' O ' HG21 ' A' ' 77' ' ' VAL . 22.9 m-85 -115.07 -0.91 13.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.808 0.337 . . . . 1.13 110.918 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -169.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 1.37 111.103 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.02 171.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 2.53 111.462 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.78 -5.19 42.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.079 -0.509 . . . . 4.26 110.785 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.24 -28.75 68.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 3.15 111.395 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.538 HD12 HD11 ' A' ' 108' ' ' ILE . 0.4 OUTLIER -83.87 -14.27 51.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 1.91 111.08 -179.725 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.579 ' HA ' HD13 ' A' ' 108' ' ' ILE . 5.4 m-70 -70.52 84.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 3.15 110.547 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.44 -42.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 3.43 111.472 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -92.14 -8.23 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 2.46 110.774 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.579 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.2 mp -51.48 117.73 9.86 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 2.67 110.906 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.58 174.51 9.64 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.381 2.054 . . . . 3.11 112.501 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.26 -0.876 . . . . 7.27 110.851 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 N-CA-C 112.523 -0.231 . . . . 14.04 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -157.56 -179.34 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 13.39 110.816 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -66.22 -28.5 68.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 12.87 110.855 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.83 150.02 26.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 11.46 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.37 163.05 27.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 7.75 111.014 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -68.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 7.53 110.923 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.18 -170.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 5.67 110.951 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 56.69 82.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 3.86 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -128.45 113.64 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 4.31 110.938 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -81.72 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 1.93 111.002 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 77' ' ' VAL . 3.3 ptm -161.67 128.96 3.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.454 . . . . 1.23 110.823 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' HA ' HG22 ' A' ' 76' ' ' THR . . . -51.55 157.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.62 111.15 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -56.97 -27.83 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.65 110.685 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.24 -32.64 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 2.82 110.473 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.73 -37.25 85.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.948 -0.569 . . . . 1.51 110.496 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.57 108.61 1.13 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.084 -0.507 . . . . 0.93 110.697 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.0 115.14 2.22 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.344 2.03 . . . . 0.48 112.204 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.6 tp -54.55 -49.81 88.95 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.201 -0.454 . . . . 1.64 111.761 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.1 Cg_endo -51.75 -29.19 32.93 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.144 1.896 . . . . 0.59 111.973 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -86.21 -34.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.052 -0.522 . . . . 0.65 110.465 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.614 HH12 HG21 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -60.5 -34.39 74.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 3.62 110.608 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -25.35 48.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.672 . . . . 0.48 111.521 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.63 -47.82 68.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.407 -0.36 . . . . 2.14 110.637 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD23 HH22 ' A' ' 21' ' ' ARG . 41.6 tp -75.12 -26.05 58.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 1.51 110.65 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.0 m -61.77 -42.62 99.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.55 110.361 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.68 88.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.578 . . . . 0.52 110.658 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -59.65 -54.99 39.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.72 110.535 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.719 HD22 HD11 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -59.82 -29.36 68.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.963 -0.562 . . . . 1.09 110.983 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -37.42 87.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 1.2 110.845 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.93 78.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.68 110.971 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -15.51 62.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 1.16 110.848 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 54.83 35.08 23.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 2.03 111.057 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -107.43 23.66 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.54 111.144 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.642 ' HA ' HD12 ' A' ' 37' ' ' LEU . 52.0 p-90 -63.89 -36.43 83.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.5 110.76 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -63.26 -32.27 73.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 2.32 110.829 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.11 -32.25 66.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 3.29 111.076 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.719 HD11 HD22 ' A' ' 28' ' ' LEU . 34.1 mt -61.33 -52.44 64.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.65 110.402 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.9 -60.93 2.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.41 111.225 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -32.35 71.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.51 111.497 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.3 67.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.436 -0.347 . . . . 0.47 111.284 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.462 HG11 ' CZ2' ' A' ' 69' ' ' TRP . 1.5 m -103.66 6.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.384 -0.371 . . . . 0.5 111.051 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 101.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.111 -0.495 . . . . 2.14 111.12 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt -136.46 161.33 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 1.03 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 56.7 m-85 -69.76 139.97 88.87 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 1.41 110.602 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 39.7 Cg_exo -58.78 -20.04 49.64 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.374 2.049 . . . . 1.32 111.952 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.96 -29.29 67.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.494 . . . . 2.01 110.454 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -77.87 -38.81 45.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 1.94 110.594 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.624 ' HA ' HD12 ' A' ' 51' ' ' ILE . 10.2 t -63.98 -43.75 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.88 110.792 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -36.2 78.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 2.44 110.684 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -42.18 94.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 2.12 110.833 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 48' ' ' VAL . 8.2 mt -66.4 -53.55 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.47 111.247 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -29.11 40.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 1.42 111.359 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -68.82 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.93 111.166 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.01 -32.21 72.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 2.48 110.986 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -58.79 -30.44 67.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 1.77 110.837 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -37.87 82.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 3.02 111.104 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -93.32 70.51 4.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 2.99 111.144 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.77 74.18 0.12 Allowed Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.661 -0.699 . . . . 2.05 113.395 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.05 147.74 29.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 5.55 111.095 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.8 t -76.5 111.08 11.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.51 110.93 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.93 -33.1 72.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.39 111.141 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 m -64.8 -38.0 89.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.66 110.872 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -48.1 83.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 1.79 110.854 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.6 ' HB2' HG23 ' A' ' 51' ' ' ILE . 10.5 mm-40 -65.16 -42.02 94.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 1.72 110.666 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -57.61 -47.93 80.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.5 110.695 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.457 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 1.9 mm? -64.64 -28.89 69.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.65 110.999 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.96 -47.96 78.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 1.48 111.627 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.1 mt -79.55 -46.46 22.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.394 -0.366 . . . . 0.52 111.738 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.462 ' CZ2' HG11 ' A' ' 41' ' ' VAL . 27.0 t90 -70.53 -19.73 62.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.63 111.068 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -120.66 94.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.69 -0.767 . . . . 1.08 112.524 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.12 -10.89 3.87 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.884 -0.674 . . . . 1.54 112.457 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -123.77 -18.45 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 1.99 110.816 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -106.75 -9.47 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 1.53 111.092 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 55.63 50.54 14.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 3.1 110.919 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.603 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -77.47 -160.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 2.8 110.959 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 12' ' ' ALA . 28.8 p -147.01 159.56 43.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.321 -0.4 . . . . 1.17 110.983 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 11' ' ' MET . 19.4 t -63.43 -27.94 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 1.25 111.171 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.56 -50.73 71.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 2.24 111.039 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.1 m -55.27 -34.28 63.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.71 111.366 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.48 -43.6 98.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.5 111.109 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.483 ' HB2' HG11 ' A' ' 100' ' ' VAL . 12.9 t80 -60.29 -59.24 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.73 111.118 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.48 -19.95 62.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.67 111.689 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 tp -66.35 -55.59 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 1.23 110.993 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -57.6 -28.77 63.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.46 111.157 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -37.67 63.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.277 -0.42 . . . . 1.59 111.097 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.53 -40.4 82.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 2.31 111.114 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.33 -4.42 48.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 1.57 111.058 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.87 54.43 8.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.166 -0.47 . . . . 2.87 111.041 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.5 mt -89.65 82.43 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 1.31 111.031 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -54.96 -24.31 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 1.84 111.011 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -51.03 8.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 1.98 111.1 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.57 -40.85 65.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 0.42 110.993 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.8 mtm -59.56 -61.94 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.29 110.764 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 94' ' ' ARG . 6.3 ptp180 -59.46 -13.67 9.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 3.39 111.2 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.432 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -78.24 -32.74 49.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 0.79 110.9 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.614 HG21 HH12 ' A' ' 21' ' ' ARG . 0.7 OUTLIER -126.31 48.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.376 -0.375 . . . . 1.29 111.305 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 7.4 pttp -98.79 75.69 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 2.85 110.839 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -174.56 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 1.64 111.191 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -102.01 0.51 35.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.771 0.32 . . . . 1.13 110.836 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.483 HG11 ' HB2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -100.23 -170.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 1.37 110.984 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.89 166.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 2.53 111.239 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -93.81 -4.84 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 4.26 110.818 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -31.58 72.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 3.15 111.162 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.41 27.61 0.81 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.386 -0.37 . . . . 1.91 111.339 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.65 ' HA ' HD13 ' A' ' 108' ' ' ILE . 8.3 m170 -110.69 72.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 3.15 109.925 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -33.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 3.43 111.329 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -90.88 -7.74 51.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 2.46 110.739 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.65 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.5 mp -51.15 117.58 9.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.888 -0.597 . . . . 2.67 110.806 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -82.01 172.78 11.62 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.487 2.125 . . . . 3.11 112.525 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.242 -0.885 . . . . 7.27 110.911 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.457 -0.257 . . . . 14.04 112.457 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t 56.26 71.79 0.54 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.815 0.34 . . . . 13.39 110.99 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 m80 55.56 69.09 0.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.074 -0.512 . . . . 12.87 110.896 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.7 tpt -127.17 39.89 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 11.46 110.826 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m 56.69 78.37 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 7.75 111.022 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -165.22 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.058 -0.519 . . . . 7.53 110.832 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.4 mt -118.61 -45.26 2.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 5.67 111.067 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.75 58.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 3.86 110.991 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -165.1 152.07 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 4.31 110.885 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.509 HG21 ' HA ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -139.76 -179.98 6.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 1.93 111.058 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.404 ' H ' HG22 ' A' ' 10' ' ' THR . 4.0 ptt? -55.58 132.23 48.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 1.23 110.938 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.27 149.15 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.62 111.177 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' A' ' 75' ' ' HIS . 0.4 OUTLIER -60.54 -23.64 29.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.976 -0.556 . . . . 0.65 110.842 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -14.57 4.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 2.82 110.865 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.05 -30.24 13.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.44 . . . . 1.51 110.189 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.89 106.72 0.69 Allowed Pre-proline 0 C--O 1.231 0.113 0 CA-C-N 115.997 -0.547 . . . . 0.93 110.278 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.92 115.77 3.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.543 2.162 . . . . 0.48 112.484 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.615 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.1 mt -53.95 -49.8 87.6 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.794 -0.639 . . . . 1.64 111.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 8.0 Cg_endo -49.78 -30.13 22.17 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.231 1.954 . . . . 0.59 112.277 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.9 t -86.47 -36.36 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.65 110.698 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.512 HH12 HG21 ' A' ' 96' ' ' ILE . 2.9 tpt180 -60.14 -27.13 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.929 -0.578 . . . . 3.62 110.865 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.14 -24.32 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 0.48 111.308 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.56 -44.87 77.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 2.14 111.357 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.932 HD23 HD13 ' A' ' 95' ' ' LEU . 2.5 tm? -83.47 -26.65 30.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.436 -0.347 . . . . 1.51 111.186 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 m -58.82 -45.82 89.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.954 0.407 . . . . 0.55 110.588 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.0 99.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.52 110.821 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.53 ' HB3' HD22 ' A' ' 24' ' ' LEU . 77.5 t60 -58.4 -56.74 18.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.443 -0.799 . . . . 0.72 111.127 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 37' ' ' LEU . 2.7 mm? -60.03 -34.62 73.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 1.09 110.993 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -64.31 -35.19 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.51 . . . . 1.2 110.859 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.61 76.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.68 110.999 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.57 -12.12 61.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 1.16 110.752 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t0 54.73 43.26 30.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.057 -0.52 . . . . 2.03 110.925 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -118.4 22.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.54 111.265 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.804 ' HA ' HD12 ' A' ' 37' ' ' LEU . 26.7 p-90 -59.84 -37.35 78.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.5 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -35.79 81.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 2.32 111.002 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 2.2 mt-30 -72.3 -8.98 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 3.29 111.036 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 34' ' ' TRP . 11.7 mt -92.98 -58.65 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 0.65 109.996 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -55.21 24.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.574 . . . . 0.41 110.927 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 m -61.19 -33.4 73.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.971 -0.559 . . . . 0.51 111.503 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -55.28 -34.95 64.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.406 -0.361 . . . . 0.47 111.383 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.4 m -103.2 4.97 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.5 110.949 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.93 103.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.867 -0.606 . . . . 2.14 111.325 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 mt -130.97 164.5 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.03 110.791 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.418 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 18.5 m-85 -69.06 158.06 87.54 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 1.41 110.687 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 44' ' ' TYR . 82.8 Cg_endo -72.77 -31.24 10.65 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.454 2.103 . . . . 1.32 111.795 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 50' ' ' GLN . 10.4 m-20 -63.63 -28.16 69.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.878 -0.601 . . . . 2.01 110.35 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -78.22 -43.92 27.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 1.94 110.558 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.481 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.8 t -63.91 -49.84 80.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.88 110.465 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.64 -33.79 73.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 2.44 110.318 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -58.02 -42.95 86.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.904 -0.589 . . . . 2.12 110.734 179.513 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 48' ' ' VAL . 6.7 mt -68.7 -43.37 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.47 110.867 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.5 t -54.93 -25.44 29.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 1.42 111.298 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -57.51 -69.04 0.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.328 -0.397 . . . . 0.93 110.952 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.429 ' HB2' ' HG3' ' A' ' 59' ' ' ARG . 3.5 pt20 -63.26 -39.17 93.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 2.48 110.896 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -60.1 -22.99 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 1.77 111.119 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -6.62 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 3.02 111.598 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.37 73.57 1.25 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.844 0.354 . . . . 2.99 111.587 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.85 82.37 0.04 OUTLIER Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.998 -0.546 . . . . 2.05 113.313 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.493 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -150.49 139.98 21.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 5.55 110.803 179.642 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 p -69.66 99.88 1.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 1.51 110.951 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.38 80.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.39 111.295 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -64.86 -35.9 82.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.66 111.034 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -52.12 66.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 1.79 110.517 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -66.57 -35.29 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.399 . . . . 1.72 110.39 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -57.94 -49.97 74.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 0.5 110.901 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.38 -32.96 74.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.65 110.959 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.57 -17.67 63.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 1.48 111.159 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.04 -50.53 9.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.4 -0.364 . . . . 0.52 111.517 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -71.58 -12.36 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.63 110.958 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.22 98.33 0.66 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.762 -0.732 . . . . 1.08 112.653 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.29 -22.5 3.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 1.54 112.769 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -106.45 -32.76 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.708 0.29 . . . . 1.99 111.121 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -99.12 -17.92 17.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.53 111.154 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 m120 56.34 53.84 8.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.03 0.443 . . . . 3.1 110.613 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.495 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -76.59 -163.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 2.8 110.873 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.5 p -141.71 162.95 34.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.338 . . . . 1.17 111.006 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.61 -13.81 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 1.25 111.283 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.15 -63.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.411 . . . . 2.24 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.8 m -54.22 -30.9 51.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 0.71 111.355 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.472 HD21 HH22 ' A' ' 21' ' ' ARG . 59.0 tp -60.57 -47.49 85.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.5 110.83 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -61.98 -53.75 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.73 110.918 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -61.33 -22.67 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.67 111.637 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.3 tp -67.03 -50.13 62.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 1.23 111.018 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -58.98 -22.98 61.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.46 111.558 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.43 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -54.45 -21.41 9.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.509 -0.314 . . . . 1.59 111.389 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -58.77 -61.71 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 2.31 111.223 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.66 2.79 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 1.57 110.887 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm 52.97 66.67 1.16 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 2.87 110.105 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 89' ' ' LEU . 4.6 mp -88.19 89.21 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 1.31 110.899 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -53.48 -48.45 68.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 1.84 111.583 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -59.66 -55.87 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 1.98 111.38 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.75 -38.03 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 0.42 111.387 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 mtm -60.02 -64.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 1.29 111.441 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.59 ' HA ' ' HG3' ' A' ' 97' ' ' LYS . 6.2 ptm180 -58.26 -17.99 23.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.271 -0.422 . . . . 3.39 111.673 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.932 HD13 HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -68.72 -32.14 71.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.553 -0.294 . . . . 0.79 111.214 -179.651 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.512 HG21 HH12 ' A' ' 21' ' ' ARG . 1.3 pp -127.69 32.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 1.29 111.437 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HG3' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -66.66 -51.68 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.385 . . . . 2.85 110.967 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.99 13.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 1.64 111.816 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.444 ' H ' ' C ' ' A' ' 97' ' ' LYS . 43.4 m-85 -113.24 -13.37 12.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.587 0.232 . . . . 1.13 111.428 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 97' ' ' LYS . 16.0 m -97.72 -169.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 1.37 111.174 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -53.52 157.91 1.97 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.234 -0.439 . . . . 2.53 111.355 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -86.53 -5.71 59.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.084 -0.507 . . . . 4.26 110.829 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -66.67 -20.45 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 3.15 110.912 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.25 -22.48 30.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.91 110.822 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.712 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -66.55 83.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.932 0.396 . . . . 3.15 110.56 179.778 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.39 -41.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 3.43 110.794 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -90.76 -15.35 30.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.05 -0.523 . . . . 2.46 110.512 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.712 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.5 mp -51.49 118.52 11.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.659 -0.7 . . . . 2.67 110.897 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.23 146.34 95.95 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.45 2.1 . . . . 3.11 112.17 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.3 -0.857 . . . . 7.27 110.875 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.475 -0.25 . . . . 14.04 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -148.5 -49.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 13.39 110.846 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.32 148.24 52.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 12.87 111.027 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.1 tpt 54.18 42.56 31.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 11.46 111.174 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.4 -20.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 7.75 110.849 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -127.96 -21.8 3.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 7.53 110.944 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.83 -179.43 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 5.67 110.783 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.83 169.34 15.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 3.86 110.838 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -126.59 33.6 4.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 4.31 111.029 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.494 ' HB ' ' HB ' ' A' ' 76' ' ' THR . 0.3 OUTLIER -59.72 141.1 55.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 1.93 111.097 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -55.63 122.86 12.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 1.23 111.066 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.32 164.39 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.068 -0.514 . . . . 0.62 111.198 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -24.07 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.788 -0.642 . . . . 0.65 110.624 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -31.22 62.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.176 -0.466 . . . . 2.82 110.216 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.06 -39.3 50.35 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.839 -0.619 . . . . 1.51 109.587 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.97 106.94 0.73 Allowed Pre-proline 0 C--O 1.231 0.103 0 CA-C-N 115.617 -0.72 . . . . 0.93 110.302 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.92 102.37 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.454 2.103 . . . . 0.48 112.198 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.404 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -54.09 -48.38 94.31 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 115.863 -0.608 . . . . 1.64 111.919 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 84.9 Cg_exo -46.82 -33.3 13.8 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.225 1.95 . . . . 0.59 112.424 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 t -86.79 -42.75 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.65 110.672 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -60.27 -20.34 58.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 3.62 110.563 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.89 -23.38 44.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.617 -0.72 . . . . 0.48 111.424 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -67.22 -34.35 77.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 2.14 110.381 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD13 HD22 ' A' ' 95' ' ' LEU . 42.9 tp -79.37 -34.22 42.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.038 -0.528 . . . . 1.51 110.571 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.5 m -60.42 -48.39 81.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.032 0.444 . . . . 0.55 110.173 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.12 -38.56 86.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.806 -0.634 . . . . 0.52 110.493 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.17 -54.15 50.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.495 -0.775 . . . . 0.72 110.726 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.8 -31.0 69.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.839 -0.618 . . . . 1.09 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.41 -28.59 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 1.2 110.991 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.39 69.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.68 111.101 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -14.77 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 1.16 111.041 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 56.59 66.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 2.03 111.025 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 m -135.42 25.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.54 111.023 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.571 ' HA ' HD12 ' A' ' 37' ' ' LEU . 27.0 p-90 -60.58 -37.67 82.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.04 -0.527 . . . . 0.5 110.952 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -31.53 72.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 2.32 110.765 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -71.71 -31.67 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 3.29 110.687 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.7 mt -62.95 -58.74 6.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.65 110.478 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 -57.12 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.41 111.462 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -60.52 -32.12 71.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.51 111.882 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.08 -34.68 63.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.76 0.314 . . . . 0.47 111.051 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.612 HG13 HD13 ' A' ' 83' ' ' LEU . 2.9 m -105.42 2.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.5 110.688 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.75 97.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.796 -0.638 . . . . 2.14 111.209 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 mt -125.16 167.63 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 1.03 111.154 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 48' ' ' VAL . 34.8 m-85 -69.74 160.91 77.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 1.41 110.618 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -72.03 -37.05 5.18 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.432 2.088 . . . . 1.32 111.982 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.77 -24.87 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.943 -0.571 . . . . 2.01 110.623 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -79.3 -49.98 11.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 1.94 110.723 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.624 ' HA ' HD12 ' A' ' 51' ' ' ILE . 3.0 t -64.12 -48.94 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.88 110.836 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.63 -37.61 79.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 2.44 110.504 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.93 -35.15 68.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.064 -0.516 . . . . 2.12 110.653 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 48' ' ' VAL . 15.5 mt -71.38 -37.91 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.47 110.97 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 t -53.73 -39.05 64.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 1.42 111.15 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.0 m -59.74 -62.89 1.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.93 110.859 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -62.48 -19.14 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.033 -0.53 . . . . 2.48 111.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 19.6 ttpp -61.81 -61.75 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 1.77 111.23 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -60.16 -21.81 62.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.178 -0.464 . . . . 3.02 111.387 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -149.05 86.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.98 0.419 . . . . 2.99 111.092 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -176.75 -95.9 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.849 -0.691 . . . . 2.05 112.432 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -146.24 -78.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 5.55 110.859 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.91 151.78 38.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 1.51 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB2' ' HD2' ' A' ' 55' ' ' LYS . . . -61.04 -51.02 70.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.39 111.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -32.95 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.66 110.842 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -55.61 31.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 1.79 110.669 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.599 ' HB3' HG23 ' A' ' 51' ' ' ILE . 19.9 tp10 -64.81 -35.58 81.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 1.72 110.468 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.04 -48.22 80.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.834 -0.621 . . . . 0.5 110.846 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.52 -29.5 70.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.65 110.983 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -63.35 -17.61 62.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 1.48 111.254 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.9 mt -108.97 -52.4 6.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.52 111.536 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -70.7 -40.89 72.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.453 -0.34 . . . . 0.63 110.831 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.64 71.77 1.1 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.884 -0.675 . . . . 1.08 112.312 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 174.62 -62.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.84 -0.695 . . . . 1.54 112.276 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -70.74 -20.39 62.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 1.99 110.729 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -95.6 -19.67 19.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.006 -0.543 . . . . 1.53 110.854 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 57.16 38.16 28.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 3.1 110.767 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.36 150.06 35.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 2.8 110.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.494 ' HB ' ' HB ' ' A' ' 10' ' ' THR . 5.9 p -89.35 168.16 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 1.17 111.065 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.77 -20.4 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 1.25 111.07 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -59.48 -57.56 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 2.24 110.99 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 m -54.93 -33.96 62.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.71 111.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.8 tp -60.42 -39.46 87.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.5 110.897 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.06 -50.36 72.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.73 110.868 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.65 -25.55 67.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.67 111.478 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.612 HD13 HG13 ' A' ' 41' ' ' VAL . 22.0 tp -65.66 -54.07 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 1.23 111.05 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -58.32 -28.96 65.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.36 . . . . 0.46 111.173 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -38.81 63.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 1.59 110.705 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -60.02 -38.86 83.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 2.31 110.849 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.413 ' C ' ' HG2' ' A' ' 88' ' ' LYS . 3.6 mm? -92.52 14.96 15.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.123 -0.489 . . . . 1.57 110.936 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 87' ' ' LEU . 2.3 ptpt 39.32 45.3 1.17 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.987 -0.551 . . . . 2.87 111.643 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.48 HD13 HD11 ' A' ' 28' ' ' LEU . 43.1 mt -90.07 70.94 7.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.111 -0.495 . . . . 1.31 110.855 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.42 -33.53 54.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 1.84 111.154 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -55.07 12.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 1.98 111.174 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.42 35.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.42 111.5 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.2 mtt -59.71 -61.16 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 1.29 111.264 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.564 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 1.4 ptm180 -58.31 -18.26 25.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.28 -0.418 . . . . 3.39 111.393 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.561 HD22 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -71.15 -30.85 66.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.79 111.236 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.417 HG23 HD22 ' A' ' 24' ' ' LEU . 1.2 pt -116.69 7.5 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 1.29 111.486 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.564 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -70.44 -20.55 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 2.85 110.828 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -5.11 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 1.64 111.456 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -107.81 -41.13 5.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.553 -0.294 . . . . 1.13 111.233 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.698 HG23 HD11 ' A' ' 104' ' ' LEU . 33.9 m -97.62 163.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 1.37 110.858 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.76 ' HA ' HD12 ' A' ' 104' ' ' LEU . 27.6 p 177.34 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.503 -0.317 . . . . 2.53 111.608 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -46.87 -52.52 14.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.007 -0.542 . . . . 4.26 112.003 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -69.37 -40.7 77.3 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.354 0.501 . . . . 3.15 112.354 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 101' ' ' SER . 0.0 OUTLIER -83.6 -4.3 58.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.943 0.349 . . . . 1.91 111.943 -178.799 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -63.07 83.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 3.15 111.059 -179.515 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.448 ' H ' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -176.33 -7.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.763 -0.653 . . . . 3.43 110.478 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.448 ' H ' ' H ' ' A' ' 106' ' ' LYS . 15.5 p90 -151.14 7.57 0.52 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.242 -0.435 . . . . 2.46 111.751 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 104' ' ' LEU . 1.3 mp -59.47 126.65 82.97 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.862 -0.153 . . . . 2.67 110.93 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -80.35 160.84 22.85 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.486 2.124 . . . . 3.11 112.251 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.232 -0.89 . . . . 7.27 110.861 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 112.426 -0.27 . . . . 14.04 112.426 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.29 37.73 28.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 13.39 110.93 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -111.04 40.35 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 12.87 110.728 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.28 -172.7 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 11.46 110.861 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m 57.41 28.09 14.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 7.75 111.002 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.11 126.48 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 7.53 110.837 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tp -141.77 78.62 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 5.67 110.85 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.8 109.39 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 3.86 110.838 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.08 145.4 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 4.31 111.056 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.2 p -84.78 -85.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 1.93 110.942 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -161.72 134.38 6.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.35 -0.386 . . . . 1.23 110.906 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.58 137.71 24.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.62 111.231 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.559 ' HA ' HD23 ' A' ' 16' ' ' LEU . 11.8 mt -53.99 -27.41 16.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.744 -0.662 . . . . 0.65 110.965 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.56 -30.42 60.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.338 -0.392 . . . . 2.82 110.872 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.83 -28.59 33.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 1.51 111.119 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 13' ' ' ILE . 3.5 mm? -52.66 117.72 11.5 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.279 -0.419 . . . . 0.93 110.714 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.55 122.2 10.86 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.563 2.175 . . . . 0.48 112.743 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.631 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -74.48 -49.03 5.2 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.889 -0.596 . . . . 1.64 111.65 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.3 Cg_endo -53.34 -26.62 35.69 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.261 1.974 . . . . 0.59 112.693 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.0 t -85.85 -46.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.65 110.76 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -61.42 -14.39 27.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 3.62 110.885 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.0 -31.37 63.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.48 111.166 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.94 80.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 2.14 110.836 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.734 HD12 ' HB3' ' A' ' 95' ' ' LEU . 3.1 tt -72.75 -40.62 65.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 1.51 110.799 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.7 m -59.97 -45.42 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 0.55 110.025 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.16 89.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.72 -0.673 . . . . 0.52 110.64 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -60.4 -54.55 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.568 -0.742 . . . . 0.72 110.81 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD23 HD23 ' A' ' 24' ' ' LEU . 4.1 mm? -59.83 -32.65 70.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.806 -0.634 . . . . 1.09 111.168 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -61.33 -33.13 73.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 1.2 110.965 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.72 79.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.68 111.107 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -12.26 61.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 1.16 111.025 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 54.9 34.57 22.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 2.03 111.219 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.36 22.6 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.54 111.076 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -64.05 -36.74 84.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.5 111.089 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.24 -32.56 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 2.32 110.791 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -71.87 -27.74 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 3.29 110.812 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -65.29 -57.08 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.65 110.364 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.18 -55.75 16.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.939 -0.573 . . . . 0.41 111.055 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -60.79 -33.8 73.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.966 -0.561 . . . . 0.51 111.501 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.33 -35.12 64.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.38 . . . . 0.47 111.378 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -105.76 6.32 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 0.5 111.096 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.4 85.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.045 -0.525 . . . . 2.14 110.841 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.41 163.93 14.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 1.03 111.027 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -69.98 131.0 89.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 1.41 110.666 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.3 -21.47 44.34 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.45 2.1 . . . . 1.32 112.199 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -33.41 75.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 2.01 110.685 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -77.46 -34.29 54.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 1.94 110.664 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.701 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.7 t -63.72 -36.65 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.88 111.001 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.36 -46.77 88.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 2.44 111.058 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -37.79 78.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 2.12 111.286 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 48' ' ' VAL . 24.9 mt -63.9 -62.62 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.432 -0.349 . . . . 0.47 111.115 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -53.18 -28.4 26.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.203 -0.453 . . . . 1.42 111.081 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -58.63 -65.82 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 0.93 110.907 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.92 -33.73 74.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 2.48 110.84 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.7 tmmt? -59.59 -22.15 61.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 1.77 111.064 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -5.94 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 3.02 111.477 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.03 71.57 1.14 Allowed 'General case' 0 C--O 1.233 0.203 0 N-CA-C 111.636 0.236 . . . . 2.99 111.636 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.17 81.09 0.03 OUTLIER Glycine 0 C--N 1.332 0.361 0 CA-C-N 116.15 -0.477 . . . . 2.05 113.312 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.66 -7.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.601 0.238 . . . . 5.55 111.185 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . 1.3 m 60.2 107.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.162 -0.472 . . . . 1.51 110.856 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -60.29 -37.72 81.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.39 111.505 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.8 m -64.82 -37.02 86.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.66 111.038 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.531 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 2.4 t-20 -61.39 -53.88 50.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.79 110.852 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -64.61 -37.0 86.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.72 110.581 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.77 -48.66 79.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.5 110.776 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.98 -36.36 83.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.65 111.031 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -62.81 -21.89 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 1.48 111.414 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.8 mt -97.32 -53.43 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.43 -0.35 . . . . 0.52 111.397 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -71.27 -54.02 12.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.63 110.756 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.408 ' CA ' HG21 ' A' ' 13' ' ' ILE . . . -88.76 91.41 1.72 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.783 -0.722 . . . . 1.08 112.382 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 157.18 -49.27 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.822 -0.704 . . . . 1.54 112.394 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -86.39 -47.32 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 1.99 110.682 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -70.14 -20.13 63.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 1.53 110.605 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.0 t30 57.02 53.17 8.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 3.1 111.052 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -78.37 177.68 8.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 2.8 110.957 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.5 p -98.49 159.35 15.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.799 -0.637 . . . . 1.17 111.398 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.413 HG22 HD21 ' A' ' 16' ' ' LEU . 2.5 t -64.94 -32.57 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 1.25 111.014 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -59.81 -42.77 94.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.029 -0.532 . . . . 2.24 111.188 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -45.37 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.71 111.19 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.45 HD23 HD13 ' A' ' 96' ' ' ILE . 64.9 tp -61.78 -40.57 95.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.5 111.289 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.93 -58.65 7.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.73 111.299 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.36 -23.54 64.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.67 111.415 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.58 -45.7 78.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.23 110.973 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -58.64 -35.57 72.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.46 111.041 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -53.36 -29.19 33.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 1.59 111.302 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -45.41 87.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 2.31 110.813 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.9 mt -94.14 3.88 54.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 1.57 111.028 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 56.95 48.45 15.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 2.87 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.487 HD13 HD11 ' A' ' 28' ' ' LEU . 5.0 mt -90.09 75.69 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.31 110.874 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.0 -29.2 42.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 1.84 111.082 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -70.38 -53.58 16.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 1.98 110.86 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.86 -34.21 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.42 111.32 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.0 mtm -60.04 -63.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 1.29 111.442 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -16.2 10.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.197 -0.456 . . . . 3.39 111.653 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.734 ' HB3' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -70.94 -40.57 71.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.743 0.306 . . . . 0.79 110.857 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.45 HD13 HD23 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -126.72 54.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 1.29 111.145 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.552 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -90.5 -39.77 12.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 2.85 111.069 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.5 3.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 1.64 111.401 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -108.9 -10.42 15.09 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.794 0.294 . . . . 1.13 111.794 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -99.07 -163.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.671 0.272 . . . . 1.37 111.017 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -175.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.192 0.52 . . . . 2.53 111.69 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -93.14 -4.58 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 4.26 110.851 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.18 -14.98 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 3.15 111.272 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.42 ' H ' HD22 ' A' ' 104' ' ' LEU . 0.6 OUTLIER -85.35 -25.97 26.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 1.91 110.806 179.78 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.429 ' HA ' HD13 ' A' ' 108' ' ' ILE . 10.4 m-70 -68.08 81.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.379 . . . . 3.15 110.501 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.34 -42.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 3.43 111.182 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -90.31 -13.45 35.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 2.46 110.612 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 105' ' ' HIS . 0.8 OUTLIER -51.54 120.94 16.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 2.67 110.752 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.76 155.58 21.8 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.414 2.076 . . . . 3.11 112.29 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.264 -0.874 . . . . 7.27 110.868 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.477 -0.249 . . . . 14.04 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.36 89.65 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 13.39 110.868 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -83.89 -61.75 1.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 12.87 110.856 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.449 ' HG2' ' H ' ' A' ' 4' ' ' MET . 2.4 ptt? -76.93 152.15 35.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 11.46 110.794 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.25 -174.76 4.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.291 -0.413 . . . . 7.75 111.068 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.39 -157.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 7.53 110.698 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.92 161.82 4.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.931 0.396 . . . . 5.67 110.976 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.54 -147.7 0.42 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.048 -0.524 . . . . 3.86 110.758 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.17 160.68 0.12 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.056 0.455 . . . . 4.31 111.113 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -175.18 3.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.967 -0.56 . . . . 1.93 111.142 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.24 125.91 23.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 1.23 110.948 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.04 145.26 10.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.62 111.174 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.44 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.8 mt -53.54 -28.1 15.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 0.65 110.758 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -41.03 69.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 2.82 110.622 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -38.39 90.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 1.51 110.676 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.674 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.42 110.69 1.92 Allowed Pre-proline 0 C--O 1.232 0.164 0 CA-C-N 116.144 -0.48 . . . . 0.93 110.825 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.13 123.94 15.06 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.521 2.147 . . . . 0.48 112.454 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.437 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -59.31 -47.04 98.97 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.054 -0.521 . . . . 1.64 111.537 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 77.2 Cg_exo -48.37 -32.1 19.24 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.255 1.97 . . . . 0.59 112.478 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.561 HG11 ' OH ' ' A' ' 99' ' ' TYR . 45.9 t -84.92 -33.08 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.65 110.624 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.674 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -58.12 -36.93 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.984 -0.553 . . . . 3.62 110.793 179.454 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.04 46.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 0.48 111.598 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.78 -44.97 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.431 -0.35 . . . . 2.14 110.943 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.621 HD23 HD13 ' A' ' 95' ' ' LEU . 2.6 tm? -80.63 -33.36 35.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 1.51 110.781 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.1 m -59.27 -43.0 92.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.55 110.332 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.99 97.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.883 -0.599 . . . . 0.52 110.733 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -60.44 -52.75 63.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 0.72 111.46 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.498 HD23 ' CD1' ' A' ' 24' ' ' LEU . 4.1 mm? -59.04 -52.65 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 1.09 111.391 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.75 -20.67 66.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 1.2 111.28 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.44 -35.75 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.68 110.782 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -0.64 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 1.16 110.854 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.12 49.64 11.16 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.055 -0.52 . . . . 2.03 110.695 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.96 26.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.54 111.329 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.603 ' HA ' HD12 ' A' ' 37' ' ' LEU . 56.4 p-90 -58.34 -29.04 65.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.921 0.391 . . . . 0.5 110.598 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -62.8 -30.5 71.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.57 . . . . 2.32 110.75 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -71.22 -40.39 71.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.905 -0.589 . . . . 3.29 110.952 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 34' ' ' TRP . 11.0 mt -56.91 -54.79 42.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.65 110.792 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.23 -64.81 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.41 111.575 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -60.07 -25.54 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.51 112.094 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -54.0 -36.26 62.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.916 0.388 . . . . 0.47 110.719 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -4.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.988 -0.551 . . . . 0.5 110.033 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.46 97.68 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.345 -0.843 . . . . 2.14 111.546 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.75 163.1 25.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 1.03 110.656 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -69.26 137.63 89.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 1.41 110.277 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.79 -13.72 9.17 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.554 2.169 . . . . 1.32 112.509 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.5 -36.81 83.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 2.01 110.568 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -78.21 -37.65 44.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 1.94 110.487 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 51' ' ' ILE . 5.2 t -64.12 -33.08 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.88 111.028 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.8 -44.92 96.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 2.44 110.952 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.95 -31.14 69.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 2.12 110.809 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 48' ' ' VAL . 20.5 mt -76.22 -55.17 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.47 111.284 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.7 p -53.77 -40.25 66.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 1.42 111.395 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -64.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.93 111.308 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -60.78 -26.86 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 2.48 111.197 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -60.5 -35.54 76.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 1.77 110.947 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -30.38 69.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 3.02 111.254 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 57' ' ' ARG . 1.6 mtt85 -92.9 70.46 4.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.36 . . . . 2.99 110.974 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.82 68.63 0.39 Allowed Glycine 0 C--N 1.331 0.27 0 CA-C-N 115.561 -0.745 . . . . 2.05 113.345 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -145.15 160.83 40.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 5.55 110.969 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' ' 63' ' ' ASN . 70.2 m -98.3 124.58 43.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 1.51 110.824 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.69 80.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.39 111.204 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -65.3 -36.88 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.66 110.898 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.48 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 0.9 OUTLIER -60.6 -52.57 64.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 1.79 110.839 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -64.65 -38.38 90.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 1.72 110.523 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -57.6 -46.52 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.5 110.738 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.91 -33.94 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.65 111.325 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -63.44 -32.59 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 1.48 111.734 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.0 mt -91.52 -40.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.495 -0.32 . . . . 0.52 111.753 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.7 t90 -71.5 -21.58 61.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.63 111.105 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -111.09 72.57 0.21 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.708 -0.758 . . . . 1.08 112.469 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.57 -67.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.55 -0.833 . . . . 1.54 112.595 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -71.17 -13.12 61.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.672 0.272 . . . . 1.99 111.159 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -111.28 -25.6 9.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 1.53 110.91 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 t30 55.6 53.05 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 3.1 111.061 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -162.57 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 2.8 110.713 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.9 p -142.88 166.76 23.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.824 0.345 . . . . 1.17 111.014 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -63.87 -13.7 13.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 1.25 111.474 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -60.25 -67.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 2.24 110.821 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 m -55.14 -33.89 63.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.71 110.993 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 50.4 tp -60.94 -40.08 91.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 0.5 110.763 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.02 -52.27 63.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.027 -0.533 . . . . 0.73 111.106 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -17.29 57.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.67 111.903 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 24.9 tp -65.4 -57.13 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.618 -0.265 . . . . 1.23 111.012 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -58.39 -28.2 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.46 111.066 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.99 -33.33 56.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 1.59 111.255 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -58.23 -41.86 85.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 2.31 111.148 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.419 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -92.2 -0.26 57.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 1.57 111.038 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mttt 55.86 46.19 22.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 2.87 110.824 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.419 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 18.0 mt -89.13 83.04 6.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 1.31 110.85 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -15.01 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 1.84 111.477 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.03 -48.68 8.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 1.98 111.05 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.46 71.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.42 111.638 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.542 ' HG3' ' H ' ' A' ' 94' ' ' ARG . 10.7 ptp -59.83 -58.81 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.511 -0.313 . . . . 1.29 111.303 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.542 ' H ' ' HG3' ' A' ' 93' ' ' MET . 5.5 ptp180 -59.16 -15.77 16.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.394 -0.366 . . . . 3.39 111.25 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.621 HD13 HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -72.75 -40.9 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.79 111.07 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.15 43.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.359 -0.382 . . . . 1.29 111.321 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.4 ptpt -88.49 -33.0 17.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 2.85 110.829 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.08 2.16 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 1.64 111.51 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.561 ' OH ' HG11 ' A' ' 20' ' ' VAL . 92.7 m-85 -111.29 -8.32 14.36 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.935 0.346 . . . . 1.13 111.935 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -98.6 -165.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.672 0.272 . . . . 1.37 111.054 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.03 144.6 14.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.34 -0.391 . . . . 2.53 111.125 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.96 -6.77 51.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 4.26 111.011 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -67.21 -18.67 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 3.15 110.96 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 mp -85.0 31.98 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 1.91 111.016 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.569 ' HA ' HD13 ' A' ' 108' ' ' ILE . 24.1 m-70 -124.38 79.51 1.75 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 3.15 110.526 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.39 -33.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 3.43 110.888 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -91.58 -5.7 53.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.786 -0.643 . . . . 2.46 110.429 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.569 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.6 mp -51.08 120.02 13.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.585 -0.734 . . . . 2.67 111.1 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -86.17 135.53 4.6 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.661 2.241 . . . . 3.11 112.477 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.237 -0.887 . . . . 7.27 110.875 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.459 -0.257 . . . . 14.04 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.96 132.26 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.968 0.414 . . . . 13.39 111.087 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.56 179.79 7.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 12.87 110.935 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.9 mtm 56.38 78.41 0.21 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 11.46 111.033 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -104.59 73.44 1.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.091 -0.504 . . . . 7.75 110.882 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.407 ' H ' ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -165.56 -0.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 7.53 110.894 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.407 ' H ' ' H ' ' A' ' 6' ' ' HIS . 27.3 mt -113.24 -169.7 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 5.67 110.842 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.84 129.9 39.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 3.86 110.924 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.69 147.25 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 4.31 110.86 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.84 -82.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 1.93 111.081 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.449 ' O ' HG23 ' A' ' 77' ' ' VAL . 4.0 ptm -161.53 120.31 2.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 1.23 110.839 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.55 153.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.62 110.754 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.637 ' H ' ' HB2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -51.88 -26.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.65 110.903 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -54.16 -39.03 66.17 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.315 -0.402 . . . . 2.82 110.477 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -47.24 67.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.522 . . . . 1.51 110.033 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.572 HD13 ' HD2' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -53.3 112.47 3.66 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.86 -0.609 . . . . 0.93 110.76 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.572 ' HD2' HD13 ' A' ' 16' ' ' LEU . 75.5 Cg_exo -50.27 111.24 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.31 2.007 . . . . 0.48 112.305 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.615 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -53.95 -48.85 92.53 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.039 -0.528 . . . . 1.64 111.734 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.2 Cg_endo -51.96 -26.03 23.76 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.199 1.933 . . . . 0.59 112.22 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.57 -41.62 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.65 110.477 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.503 HH12 HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -58.41 -33.88 70.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 3.62 110.69 179.342 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.85 -28.28 63.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 0.48 111.329 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.95 -47.98 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 2.14 110.805 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' A' ' 95' ' ' LEU . 8.0 tt -69.82 -41.17 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 1.51 110.754 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.7 m -57.86 -40.78 80.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.55 110.297 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.17 98.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.851 -0.613 . . . . 0.52 110.779 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -62.44 -60.34 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.663 -0.699 . . . . 0.72 111.396 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 92' ' ' ALA . 4.0 mm? -58.45 -43.52 88.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.902 -0.59 . . . . 1.09 111.606 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.12 -29.72 70.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 1.2 111.199 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.11 -27.8 67.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.38 . . . . 0.68 110.876 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.94 0.85 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.525 . . . . 1.16 110.935 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.79 48.05 11.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.126 -0.488 . . . . 2.03 110.788 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.6 22.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.54 111.297 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.757 ' HA ' HD12 ' A' ' 37' ' ' LEU . 47.6 p-90 -60.72 -29.21 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.5 110.815 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -26.11 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 2.32 110.986 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -41.4 67.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 3.29 110.935 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' A' ' 34' ' ' TRP . 3.1 mt -59.63 -55.47 33.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.897 0.38 . . . . 0.65 110.566 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.96 -59.47 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.41 111.588 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -60.01 -32.33 70.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.13 -0.486 . . . . 0.51 111.717 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.76 -36.27 64.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.514 -0.312 . . . . 0.47 111.324 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 m -107.38 8.53 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 0.5 111.12 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.87 102.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.085 -0.507 . . . . 2.14 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mt -127.19 152.43 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.03 111.091 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -69.96 133.05 88.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 1.41 110.726 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.64 -29.18 78.5 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.415 2.077 . . . . 1.32 112.227 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -31.27 72.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 2.01 110.372 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -77.86 -29.73 50.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 1.94 110.176 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 51' ' ' ILE . 37.6 t -63.74 -33.33 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.88 110.572 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -43.24 99.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.952 -0.567 . . . . 2.44 110.786 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.49 -42.88 93.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 2.12 110.88 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 48' ' ' VAL . 13.7 mt -65.57 -51.25 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.021 -0.536 . . . . 0.47 111.167 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -54.68 -37.39 65.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 1.42 111.401 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -57.61 -56.7 18.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.93 111.268 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -61.43 -34.58 75.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 2.48 111.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -26.99 67.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 1.77 111.272 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -58.68 -33.15 69.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 3.02 111.348 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -93.17 70.43 4.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.529 -0.305 . . . . 2.99 110.963 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 34.31 57.96 0.69 Allowed Glycine 0 C--N 1.332 0.333 0 CA-C-N 115.742 -0.663 . . . . 2.05 113.476 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.45 177.61 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 5.55 111.152 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.7 p -110.14 123.69 50.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.085 -0.507 . . . . 1.51 110.773 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.98 76.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.39 111.493 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.4 m -64.58 -29.64 70.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.66 111.139 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.88 -59.42 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 1.79 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -36.15 83.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 1.72 110.552 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -57.47 -41.96 81.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.5 110.493 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -38.44 91.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.65 110.911 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -62.98 -58.35 7.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 1.48 111.332 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.8 -34.12 61.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.52 111.673 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.2 t90 -71.44 -25.77 62.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.771 0.32 . . . . 0.63 111.039 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -108.27 88.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 1.08 112.432 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 162.94 -22.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.002 -0.618 . . . . 1.54 112.259 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -154.19 16.59 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.856 0.36 . . . . 1.99 110.779 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -139.56 31.35 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.53 110.905 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.77 88.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.87 -0.605 . . . . 3.1 111.433 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.637 ' HB2' ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -76.72 116.83 17.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.589 . . . . 2.8 111.144 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.56 122.75 7.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.261 -0.427 . . . . 1.17 111.035 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 11' ' ' MET . 13.8 t -63.2 -24.16 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 1.25 111.154 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -51.45 69.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 2.24 110.645 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.2 m -55.45 -32.95 63.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.71 111.228 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 tp -61.74 -48.13 82.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.5 111.198 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.43 -52.66 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.73 110.949 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.38 -18.1 57.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.67 111.343 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -59.88 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 1.23 110.983 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -58.26 -26.43 62.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.463 . . . . 0.46 111.143 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -36.69 61.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 1.59 111.024 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -58.9 -42.69 90.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 2.31 110.993 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 1.5 mt -92.43 -0.87 57.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 1.57 110.849 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mttm 54.52 45.27 27.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 2.87 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.471 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 19.6 mt -88.82 80.33 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.31 110.96 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -55.01 -24.2 23.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 1.84 110.955 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.21 -61.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 1.98 111.109 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' A' ' 28' ' ' LEU . . . -53.58 -43.99 69.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.221 -0.445 . . . . 0.42 111.359 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.9 mtp -58.91 -51.14 71.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 1.29 110.88 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -59.78 -14.61 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 3.39 111.325 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -81.63 -24.92 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.516 -0.311 . . . . 0.79 111.243 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.503 HG21 HH12 ' A' ' 21' ' ' ARG . 0.9 OUTLIER -130.3 68.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.991 0.425 . . . . 1.29 111.711 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 -46.68 4.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 2.85 110.746 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.48 3.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 1.64 111.522 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.48 -20.72 13.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.569 -0.287 . . . . 1.13 111.257 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.4 m -97.95 -177.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.433 -0.349 . . . . 1.37 110.93 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.431 ' O ' HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -54.43 159.74 1.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 2.53 111.307 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -77.53 -12.03 59.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 4.26 110.742 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -2.3 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 3.15 111.0 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 101' ' ' SER . 4.4 mm? -82.83 -7.28 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 1.91 110.999 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 66.9 m170 -74.04 82.81 1.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.358 -0.383 . . . . 3.15 110.544 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.11 -33.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 3.43 111.29 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -90.02 -22.22 21.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 2.46 110.54 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.7 mp -51.9 112.11 2.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.656 -0.702 . . . . 2.67 110.916 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.18 152.46 30.88 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.383 2.056 . . . . 3.11 112.477 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.166 -0.921 . . . . 7.27 110.864 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.522 -0.231 . . . . 14.04 112.522 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 p -152.52 -28.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.33 . . . . 13.39 110.956 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.62 -178.08 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 12.87 110.833 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.0 ttt -119.7 139.06 52.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 11.46 110.776 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.17 179.16 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.134 -0.484 . . . . 7.75 111.142 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -109.27 125.34 52.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 7.53 110.877 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.32 -60.14 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 5.67 110.821 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.09 88.5 4.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 3.86 110.852 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.01 126.01 53.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 4.31 110.854 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p -123.85 -102.46 0.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 1.93 111.122 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.94 136.1 6.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.705 0.288 . . . . 1.23 110.901 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.96 150.52 5.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.62 111.1 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.425 HD12 ' HB3' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -60.8 -28.01 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.65 110.809 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -55.84 -29.45 59.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.237 -0.438 . . . . 2.82 110.737 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -34.68 67.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 1.51 110.765 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.578 ' HB3' HH11 ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.01 109.34 1.32 Allowed Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.057 -0.52 . . . . 0.93 110.724 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -51.2 122.9 10.86 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.53 2.153 . . . . 0.48 112.486 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -59.09 -50.86 85.61 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.161 -0.472 . . . . 1.64 111.645 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.7 Cg_endo -52.01 -26.81 26.49 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.215 1.943 . . . . 0.59 112.102 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.516 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 80.8 t -85.9 -40.23 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.032 -0.531 . . . . 0.65 110.528 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.578 HH11 ' HB3' ' A' ' 16' ' ' LEU . 3.4 ttp180 -61.51 -28.92 69.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.103 -0.499 . . . . 3.62 110.971 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.41 -37.84 73.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.75 -0.659 . . . . 0.48 112.691 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 6.0 pt20 -66.84 -34.47 77.87 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.959 -0.296 . . . . 2.14 111.265 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.634 HD13 HD22 ' A' ' 95' ' ' LEU . 39.1 tp -78.06 -38.27 44.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 1.51 110.784 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 80.2 m -59.51 -52.28 66.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.334 -0.394 . . . . 0.55 110.255 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -30.21 70.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.52 110.491 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -61.27 -64.63 0.89 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.993 -0.548 . . . . 0.72 110.817 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.62 -39.62 81.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 1.09 110.793 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.0 -24.35 67.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 1.2 110.971 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.45 -31.91 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.984 0.421 . . . . 0.68 110.479 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.58 1.91 7.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 1.16 110.674 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t0 58.53 45.57 16.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.053 -0.521 . . . . 2.03 110.569 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 36' ' ' GLN . 28.2 m -134.14 32.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.54 111.32 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -63.1 -37.86 88.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.5 110.517 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -23.78 67.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.961 -0.563 . . . . 2.32 110.822 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 2.2 tm0? -71.41 -40.82 70.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 3.29 111.031 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.18 -54.88 40.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.65 110.672 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -50.92 -59.8 3.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.51 . . . . 0.41 111.374 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 m -60.32 -33.18 72.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 0.51 111.615 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.16 65.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 0.47 111.151 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 m -104.73 3.64 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.5 110.828 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.42 101.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.909 -0.587 . . . . 2.14 111.043 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 38' ' ' ALA . 8.6 mt -128.3 154.51 45.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 1.03 110.917 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -69.38 134.35 88.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.41 110.399 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.34 -18.75 25.68 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.418 2.079 . . . . 1.32 112.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -71.88 -31.79 66.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.421 . . . . 2.01 110.714 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -78.41 -33.11 48.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 1.94 110.747 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.715 ' HA ' HD12 ' A' ' 51' ' ' ILE . 5.4 t -64.36 -31.81 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.88 111.065 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.94 -46.19 90.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 2.44 110.883 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -59.27 -26.82 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 2.12 111.204 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 48' ' ' VAL . 30.2 mt -79.0 -62.44 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.407 . . . . 0.47 111.303 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.3 p -55.17 -12.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 1.42 111.747 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -56.85 -69.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.669 0.271 . . . . 0.93 111.147 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -62.85 -26.02 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 2.48 111.161 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 2.6 ttpt -60.16 -12.41 8.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 1.77 111.388 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -6.84 2.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.404 -0.362 . . . . 3.02 111.555 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -148.91 71.83 1.15 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.74 0.305 . . . . 2.99 111.282 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 43.21 79.09 0.06 OUTLIER Glycine 0 C--N 1.332 0.355 0 CA-C-N 116.026 -0.534 . . . . 2.05 113.184 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.553 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -137.26 143.57 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 5.55 111.015 179.876 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.5 t -65.98 100.61 0.59 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.167 -0.469 . . . . 1.51 111.051 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.12 92.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.39 111.308 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.8 m -64.01 -26.05 68.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.66 111.01 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -61.09 -52.49 64.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 1.79 110.546 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -40.72 92.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 1.72 110.591 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.95 -43.21 81.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 0.5 110.68 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.476 HD12 ' NE ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -64.42 -34.7 78.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.65 110.824 179.551 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -63.42 -55.25 25.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 1.48 111.48 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.88 -45.43 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 0.52 111.628 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -71.6 -14.8 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.63 111.013 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.71 96.58 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.685 -0.769 . . . . 1.08 112.641 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.41 -44.16 1.25 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.779 -0.724 . . . . 1.54 112.281 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -73.34 -27.18 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 1.99 110.742 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -113.06 -11.74 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 1.53 110.944 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 57.84 55.13 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 3.1 110.955 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -77.34 -162.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 2.8 110.806 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.93 163.98 34.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 1.17 111.187 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 77' ' ' VAL . 2.7 m -62.69 -19.18 22.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 1.25 111.402 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -58.55 -63.08 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 2.24 110.777 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -55.36 -34.54 64.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.71 111.245 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 48.4 tp -61.05 -44.16 97.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.435 . . . . 0.5 110.776 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -62.11 -57.34 11.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.73 110.82 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.94 -17.26 61.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.989 -0.551 . . . . 0.67 111.755 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 16.5 tp -65.49 -52.53 52.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 1.23 110.966 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -58.6 -32.35 68.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.46 111.167 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -53.62 -27.32 26.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 1.59 111.18 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -57.57 -52.73 64.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 2.31 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.34 3.07 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 1.57 110.836 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt 58.55 52.73 6.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.997 -0.547 . . . . 2.87 111.036 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.8 mt -90.64 73.6 6.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 1.31 111.024 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -54.4 -27.87 39.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 1.84 111.148 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -66.21 -60.13 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 1.98 111.08 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.48 -34.76 59.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.074 -0.512 . . . . 0.42 111.459 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.9 mtp -59.01 -53.09 62.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 1.29 111.172 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -56.95 -28.37 62.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 3.39 111.465 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.634 HD22 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.4 -35.73 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.79 111.194 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 pt -120.25 31.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 1.29 111.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' HE3' HG13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -88.04 51.65 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.969 0.414 . . . . 2.85 110.86 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.1 11.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.947 -0.57 . . . . 1.64 111.521 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -114.91 -5.98 12.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.046 0.451 . . . . 1.13 110.468 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.3 -170.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.797 -0.638 . . . . 1.37 111.061 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.52 164.84 0.65 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 2.53 111.184 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -93.44 -5.09 50.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 4.26 110.833 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -27.35 66.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.53 . . . . 3.15 111.3 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.58 -6.3 59.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.444 -0.344 . . . . 1.91 111.215 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.612 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -77.77 83.18 4.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 3.15 110.517 179.579 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.4 -40.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 3.43 111.319 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -91.65 0.05 57.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 2.46 110.386 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.6 mp -51.16 124.05 21.43 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.727 -0.669 . . . . 2.67 110.849 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.41 146.7 81.19 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.374 2.049 . . . . 3.11 112.471 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.204 -0.903 . . . . 7.27 110.986 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 112.463 -0.255 . . . . 14.04 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -72.18 -21.24 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 13.39 110.966 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -63.46 155.26 29.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 12.87 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -148.23 105.18 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 11.46 110.78 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.9 -26.15 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 7.75 111.002 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 m170 56.12 82.64 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 7.53 110.874 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.32 -45.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 5.67 110.976 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -124.99 121.68 35.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.477 . . . . 3.86 110.982 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -129.91 106.02 8.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 4.31 110.877 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.4 p -124.78 -131.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 1.93 110.94 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 ptm -161.41 130.19 4.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 1.23 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HB3' ' HG2' ' A' ' 14' ' ' ARG . . . -51.02 149.11 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.62 111.501 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 75' ' ' HIS . 3.1 mt -56.76 -22.04 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.588 -0.733 . . . . 0.65 110.938 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.534 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 14.9 ptm180 -56.72 -10.65 1.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.337 -0.392 . . . . 2.82 111.395 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.406 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.9 tt -103.53 -30.97 10.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.782 -0.451 . . . . 1.51 109.782 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.559 HD12 ' HD3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -51.14 104.82 0.45 Allowed Pre-proline 0 C--O 1.231 0.121 0 CA-C-N 115.828 -0.624 . . . . 0.93 110.438 179.418 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HB2' HG23 ' A' ' 20' ' ' VAL . 23.6 Cg_exo -67.09 135.26 36.78 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.813 2.342 . . . . 0.48 112.466 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.614 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.1 tp -59.22 -49.42 92.97 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.846 -0.616 . . . . 1.64 112.147 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.4 Cg_endo -52.64 -29.78 42.81 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.106 1.871 . . . . 0.59 112.698 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 17' ' ' PRO . 12.4 t -87.18 -41.79 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.65 111.13 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.559 ' HD3' HD12 ' A' ' 16' ' ' LEU . 13.9 ttp180 -60.08 -35.92 76.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 3.62 111.163 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.31 -22.99 45.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.48 111.425 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.77 -33.43 74.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 2.14 110.742 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD11 ' HB1' ' A' ' 92' ' ' ALA . 58.6 tp -91.21 -28.76 17.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 1.51 110.832 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m -61.48 -39.19 90.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.978 0.418 . . . . 0.55 110.306 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -46.28 91.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.52 110.662 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -60.55 -49.0 79.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.65 -0.704 . . . . 0.72 110.887 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD12 HD11 ' A' ' 37' ' ' LEU . 4.1 mm? -58.61 -46.05 87.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 1.09 111.411 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' HB2' ' OG ' ' A' ' 62' ' ' SER . 14.3 t70 -73.21 -19.43 61.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 1.2 111.167 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.54 78.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.68 110.773 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.98 -3.52 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 1.16 110.897 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 56.33 51.09 12.05 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.495 . . . . 2.03 110.685 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.56 31.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.938 -0.574 . . . . 0.54 111.375 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -57.83 -31.21 66.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.5 110.76 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -28.86 70.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 2.32 110.897 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.655 ' NE2' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.94 -42.53 66.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 3.29 110.934 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD11 HD12 ' A' ' 28' ' ' LEU . 1.7 mt -58.03 -56.97 15.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.913 0.387 . . . . 0.65 110.599 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.76 -58.28 6.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.926 -0.579 . . . . 0.41 111.597 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 m -59.65 -31.7 69.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.092 -0.504 . . . . 0.51 111.724 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.51 -36.89 67.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.47 111.447 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.6 m -105.52 9.66 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.533 -0.303 . . . . 0.5 111.226 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.99 96.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 2.14 111.104 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mt -115.6 147.33 40.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 1.03 111.084 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.486 ' O ' HG23 ' A' ' 48' ' ' VAL . 92.3 m-85 -69.75 160.35 80.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 1.41 110.634 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 44' ' ' TYR . 32.3 Cg_endo -61.13 -37.85 71.78 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.55 2.167 . . . . 1.32 111.925 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -27.84 69.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 2.01 110.189 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -78.78 -42.29 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.882 -0.599 . . . . 1.94 110.581 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 44' ' ' TYR . 17.0 t -63.47 -49.19 83.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.88 110.814 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.94 -37.95 84.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 2.44 110.464 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -59.5 -43.25 93.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.9 -0.591 . . . . 2.12 110.942 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.88 -47.3 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.47 111.236 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -53.65 -38.19 63.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 1.42 111.292 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.18 -60.1 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.93 111.138 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -33.68 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 2.48 111.228 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 61' ' ' ALA . 2.6 tttm -59.43 -40.16 85.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.353 -0.385 . . . . 1.77 111.123 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -24.11 65.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 3.02 111.238 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -92.44 70.36 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.371 . . . . 2.99 110.931 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 35.6 48.23 0.93 Allowed Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.533 -0.758 . . . . 2.05 113.558 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -135.3 160.89 36.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 5.55 111.074 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.3 130.89 36.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 1.51 110.864 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB2' ' HE2' ' A' ' 55' ' ' LYS . . . -61.12 -36.04 78.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.39 111.163 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.421 ' OG ' ' HB2' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -64.56 -34.24 77.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.66 110.824 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -51.01 71.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 1.79 110.641 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -39.33 91.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 1.72 110.445 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.45 -48.69 78.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.953 -0.567 . . . . 0.5 110.894 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 66' ' ' LEU . 2.5 mm? -63.66 -29.94 71.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.65 110.872 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -63.9 -62.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 1.48 111.51 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.69 -46.57 94.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.52 111.774 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -70.87 -18.4 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.63 111.094 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.11 88.15 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.569 -0.824 . . . . 1.08 112.597 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.8 -41.17 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 1.54 112.612 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -111.75 -29.09 7.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 1.99 110.958 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.62 -14.89 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 1.53 110.845 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 54.53 44.21 29.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 3.1 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.468 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -77.82 -168.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 2.8 111.023 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.448 HG22 ' HA ' ' A' ' 12' ' ' ALA . 53.7 p -142.82 165.62 26.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.407 -0.36 . . . . 1.17 110.786 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 99' ' ' TYR . 5.1 m -62.56 -19.73 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 1.25 111.409 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.55 -54.06 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 2.24 110.795 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.47 -37.6 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.71 111.246 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.95 -45.06 96.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.5 110.808 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.442 ' CD2' HG11 ' A' ' 100' ' ' VAL . 15.5 t80 -61.0 -46.54 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.73 110.792 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.31 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.67 111.113 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.7 -52.91 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 1.23 110.895 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -58.22 -28.51 64.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.46 111.424 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -53.97 -29.57 43.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.721 0.296 . . . . 1.59 111.006 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -59.31 -54.59 45.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 2.31 111.169 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.655 HD22 ' NE2' ' A' ' 36' ' ' GLN . 1.2 mp -92.58 -3.5 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 1.57 111.16 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 51.89 67.93 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 2.87 110.456 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 89' ' ' LEU . 4.3 mp -90.28 85.26 6.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 1.31 111.231 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -37.42 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 1.84 111.488 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -71.21 -59.46 2.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.425 . . . . 1.98 111.783 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.598 ' HB1' HD11 ' A' ' 24' ' ' LEU . . . -52.35 -32.98 40.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.4 . . . . 0.42 111.731 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 29.2 mtt -59.63 -47.33 86.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.391 -0.368 . . . . 1.29 111.383 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.579 ' HA ' ' HG3' ' A' ' 97' ' ' LYS . 34.3 mtp180 -57.85 -27.95 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 3.39 111.649 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.12 -31.65 71.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.478 -0.328 . . . . 0.79 111.463 -179.419 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.02 56.68 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 1.29 111.352 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.579 ' HG3' ' HA ' ' A' ' 94' ' ' ARG . 6.3 mmtp -96.73 -44.88 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 2.85 110.737 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.5 1.2 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.64 111.362 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' O ' HG21 ' A' ' 77' ' ' VAL . 78.5 m-85 -106.53 -20.15 13.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.547 -0.297 . . . . 1.13 111.42 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 81' ' ' PHE . 3.5 m -97.35 -179.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.774 0.321 . . . . 1.37 110.923 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.594 ' O ' HD12 ' A' ' 104' ' ' LEU . 12.2 m -53.84 145.84 15.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 2.53 111.134 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -81.56 -9.4 59.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 4.26 110.696 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -12.92 61.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 3.15 110.845 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.594 HD12 ' O ' ' A' ' 101' ' ' SER . 1.5 mt -83.86 -18.49 37.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 1.91 110.79 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.684 ' HA ' HD13 ' A' ' 108' ' ' ILE . 15.8 m-70 -67.58 83.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 3.15 110.632 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.13 -42.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 3.43 110.938 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -90.8 -10.61 42.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 2.46 110.38 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.684 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.3 mp -51.09 122.03 16.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.739 -0.664 . . . . 2.67 110.926 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.25 175.56 11.18 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.4 2.067 . . . . 3.11 112.415 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.264 -0.874 . . . . 7.27 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 N-CA-C 112.574 -0.21 . . . . 14.04 112.574 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -42.81 24.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 13.39 111.021 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 57.08 69.2 0.76 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.503 . . . . 12.87 111.023 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.1 mtp -85.21 146.82 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 11.46 110.86 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.94 128.95 5.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 7.75 110.95 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.09 -170.17 0.13 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.085 -0.507 . . . . 7.53 111.185 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mt 58.39 45.4 16.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.954 -0.566 . . . . 5.67 111.187 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.06 78.63 6.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 3.86 110.786 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -108.46 118.75 37.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 4.31 111.062 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 m -146.71 -90.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 1.93 110.899 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.6 ptm -161.97 125.23 3.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.369 . . . . 1.23 111.046 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' HB1' ' OD1' ' A' ' 74' ' ' ASN . . . -52.9 146.47 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.62 111.271 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.65 -23.57 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 0.65 110.523 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -27.19 39.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.957 -0.565 . . . . 2.82 110.681 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.51 -33.14 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 1.51 110.32 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.583 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -50.46 105.13 0.48 Allowed Pre-proline 0 C--N 1.333 -0.119 0 CA-C-N 116.021 -0.536 . . . . 0.93 110.596 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.58 ' HB2' HG23 ' A' ' 20' ' ' VAL . 36.3 Cg_exo -61.61 126.8 19.94 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.436 2.091 . . . . 0.48 112.421 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.646 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -57.13 -48.07 98.02 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.825 -0.625 . . . . 1.64 112.058 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 2.8 Cg_endo -45.61 -27.85 3.92 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.5 2.133 . . . . 0.59 112.543 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.58 HG23 ' HB2' ' A' ' 17' ' ' PRO . 3.1 t -85.73 -43.68 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 0.65 110.766 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.583 ' HG2' HD12 ' A' ' 16' ' ' LEU . 9.1 mtm180 -59.65 -29.44 68.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 3.62 110.633 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.3 -33.47 69.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 0.48 111.665 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -67.22 -42.12 84.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.392 -0.367 . . . . 2.14 111.175 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' O ' HD23 ' A' ' 28' ' ' LEU . 31.1 tp -77.24 -33.87 55.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.297 -0.41 . . . . 1.51 111.206 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.4 m -61.3 -44.9 96.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.423 . . . . 0.55 110.207 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.84 97.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.672 -0.695 . . . . 0.52 110.582 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -59.58 -49.51 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.559 -0.746 . . . . 0.72 110.998 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.27 -32.22 69.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 1.09 111.106 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.48 -33.14 73.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 1.2 110.907 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.61 -37.33 79.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.68 110.97 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.8 -14.94 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 1.16 110.998 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.63 58.71 4.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 2.03 111.139 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 m -138.08 32.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.54 111.267 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.509 ' HA ' HD12 ' A' ' 37' ' ' LEU . 42.9 p-90 -67.64 -35.05 78.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.371 -0.377 . . . . 0.5 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -39.08 93.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 2.32 110.914 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -72.28 -35.45 68.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 3.29 110.938 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 34' ' ' TRP . 16.5 mt -59.58 -54.52 45.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.999 0.428 . . . . 0.65 110.13 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.46 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.846 -0.615 . . . . 0.41 111.456 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -59.27 -23.66 62.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.03 -0.532 . . . . 0.51 112.118 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -52.72 -32.91 45.43 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.832 0.349 . . . . 0.47 110.731 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 m -106.12 -5.94 10.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.5 110.268 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.48 100.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.581 -0.736 . . . . 2.14 111.597 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.4 178.32 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 1.03 110.919 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -69.41 161.81 71.02 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 1.41 110.591 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.35 -29.73 13.55 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.415 2.076 . . . . 1.32 111.84 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -64.08 -23.51 67.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 2.01 110.617 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.92 -51.23 10.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.527 . . . . 1.94 110.512 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.2 t -63.48 -44.79 98.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.88 110.737 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -45.41 94.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 2.44 110.707 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -58.83 -37.94 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 2.12 111.088 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.5 mt -68.96 -57.31 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 0.47 111.203 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -53.39 -35.61 60.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.417 . . . . 1.42 111.057 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.6 t -58.37 -59.13 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.93 111.095 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.492 ' HB3' ' HD2' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -61.43 -33.56 73.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 2.48 111.232 -179.801 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 2.2 ttpt -60.58 -26.34 66.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 1.77 111.429 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.99 3.3 0.41 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.503 -0.317 . . . . 3.02 111.744 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' H ' ' C ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -138.57 71.69 1.39 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.688 0.28 . . . . 2.99 110.938 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.5 72.12 0.32 Allowed Glycine 0 C--N 1.333 0.416 0 CA-C-N 116.045 -0.525 . . . . 2.05 113.025 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.492 ' HD2' ' HB3' ' A' ' 54' ' ' GLN . 5.5 mtm-85 -148.3 153.56 38.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 5.55 111.044 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -90.76 121.72 32.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.549 . . . . 1.51 110.787 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.66 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.39 111.124 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -35.99 82.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.66 110.796 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -52.86 63.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.696 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.57 -38.93 92.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.72 110.639 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -57.81 -45.56 85.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.942 -0.572 . . . . 0.5 111.041 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.16 -33.19 75.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.65 111.111 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.24 -38.34 90.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 1.48 111.644 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.8 mt -87.0 -50.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.321 . . . . 0.52 111.774 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -70.19 -53.29 17.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.394 -0.366 . . . . 0.63 111.026 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.76 72.79 1.42 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.705 -0.759 . . . . 1.08 112.477 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.52 -76.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 1.54 112.563 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.07 -27.98 66.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.789 0.328 . . . . 1.99 110.97 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -81.52 -28.75 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 1.53 110.914 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.467 ' OD1' ' HB1' ' A' ' 12' ' ' ALA . 52.6 t30 54.53 54.78 8.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.128 -0.487 . . . . 3.1 110.839 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -178.73 5.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 2.8 111.205 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.44 148.53 21.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.548 . . . . 1.17 111.375 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 16' ' ' LEU . 7.6 m -64.75 -27.15 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 1.25 110.997 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -59.4 -42.71 92.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 2.24 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -54.87 -34.76 63.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.71 111.056 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.95 -45.65 93.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.538 . . . . 0.5 110.966 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.414 ' HB2' HG11 ' A' ' 100' ' ' VAL . 8.9 t80 -62.22 -57.55 11.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.73 111.133 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.22 -16.93 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 0.67 111.653 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.8 tp -66.48 -59.46 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.518 -0.31 . . . . 1.23 110.978 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -58.28 -22.15 51.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.46 111.455 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -37.89 62.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.342 -0.39 . . . . 1.59 110.896 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -59.02 -39.18 81.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 2.31 110.974 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.17 -1.87 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 1.57 111.037 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt 57.12 40.09 28.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 2.87 111.069 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -89.26 72.72 8.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 1.31 110.891 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -53.26 -33.97 55.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 1.84 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -60.45 -56.53 20.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 1.98 110.885 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.457 ' HB1' HD11 ' A' ' 24' ' ' LEU . . . -53.12 -40.58 64.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.081 -0.509 . . . . 0.42 111.268 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.414 ' O ' HG13 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -60.95 -48.22 82.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 1.29 110.99 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -21.31 59.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 3.39 111.533 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.446 HD22 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.29 -26.91 68.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.512 -0.313 . . . . 0.79 111.508 -179.417 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 93' ' ' MET . 1.5 pt -108.95 -103.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.769 -0.196 . . . . 1.29 110.581 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.464 ' HZ3' ' HB3' ' A' ' 104' ' ' LEU . 4.5 mtpt 72.8 -51.77 0.71 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.168 0.432 . . . . 2.85 112.168 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -0.44 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.713 0.264 . . . . 1.64 111.713 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.432 ' O ' HG21 ' A' ' 77' ' ' VAL . 83.2 m-85 -111.37 -15.38 13.59 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.68 0.252 . . . . 1.13 111.68 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.414 HG11 ' HB2' ' A' ' 81' ' ' PHE . 1.4 m -97.34 -169.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 1.37 111.092 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.2 m -54.1 156.86 2.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.174 -0.466 . . . . 2.53 111.042 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -5.36 59.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 4.26 110.838 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -14.22 62.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.143 -0.48 . . . . 3.15 111.072 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.464 ' HB3' ' HZ3' ' A' ' 97' ' ' LYS . 1.2 mp -84.15 -25.72 29.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.475 . . . . 1.91 110.861 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.651 ' HA ' HD13 ' A' ' 108' ' ' ILE . 1.7 m-70 -69.18 81.0 0.34 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 3.15 110.621 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.435 ' H ' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -169.69 1.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 3.43 111.095 -179.652 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.435 ' H ' ' H ' ' A' ' 106' ' ' LYS . 22.9 p90 -151.72 12.2 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.514 -0.312 . . . . 2.46 111.5 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.651 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.8 mp -61.16 114.19 9.97 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.487 -0.324 . . . . 2.67 110.796 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -83.01 101.21 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.421 2.08 . . . . 3.11 112.432 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.183 -0.913 . . . . 7.27 110.949 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.511 -0.236 . . . . 14.04 112.511 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -160.44 78.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.729 0.3 . . . . 13.39 110.88 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 m80 57.34 23.04 8.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.196 -0.457 . . . . 12.87 111.097 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.69 94.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 11.46 110.751 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 p -132.89 -5.82 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 7.75 110.892 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 56.64 86.66 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.147 -0.479 . . . . 7.53 111.034 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mt -93.2 -173.34 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 5.67 110.951 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -81.3 67.23 7.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 3.86 110.855 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -101.21 87.7 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 4.31 110.923 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.413 ' HB ' ' H ' ' A' ' 11' ' ' MET . 4.7 m -136.57 -108.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 1.93 110.856 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.413 ' H ' ' HB ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -161.77 122.06 2.6 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 1.23 110.916 179.782 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 151.66 3.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.62 111.166 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -26.7 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.786 -0.643 . . . . 0.65 110.877 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -55.02 -34.34 63.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 2.82 111.051 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -73.61 -36.51 65.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 1.51 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.778 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -52.43 112.13 3.13 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.93 110.957 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.426 ' HD2' HD13 ' A' ' 16' ' ' LEU . 78.4 Cg_exo -50.24 122.1 8.76 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.435 2.09 . . . . 0.48 112.434 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.624 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -56.69 -49.08 95.77 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.122 -0.49 . . . . 1.64 111.724 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.0 Cg_endo -52.23 -26.01 25.44 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.169 1.912 . . . . 0.59 112.389 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.1 t -86.09 -41.42 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.65 110.679 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.778 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.56 -35.98 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 3.62 110.952 179.652 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -21.48 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.891 -0.595 . . . . 0.48 111.514 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -59.8 3.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 2.14 110.688 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 28' ' ' LEU . 50.7 tp -66.89 -30.76 71.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.518 . . . . 1.51 110.735 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.7 m -61.71 -40.59 95.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.55 110.31 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.32 90.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.813 -0.63 . . . . 0.52 110.759 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -59.97 -48.98 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.796 -0.638 . . . . 0.72 111.067 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.4 mm? -60.09 -51.48 69.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 1.09 111.621 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -62.14 -23.28 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 1.2 111.084 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.94 -32.79 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.68 110.698 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.51 1.49 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.894 -0.594 . . . . 1.16 110.933 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t0 58.45 46.56 14.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.072 -0.513 . . . . 2.03 110.803 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.76 64.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.54 111.178 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -86.73 -37.86 17.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.5 110.782 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.08 -27.52 69.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 2.32 110.923 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' OE1' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.43 -37.83 71.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 3.29 110.939 -179.77 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.78 -61.39 2.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.807 0.336 . . . . 0.65 110.64 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.97 -55.15 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.41 111.631 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.7 m -60.47 -31.29 70.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.176 -0.465 . . . . 0.51 111.748 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.28 -33.72 63.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.666 0.269 . . . . 0.47 111.311 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.64 6.32 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.792 0.33 . . . . 0.5 111.191 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.55 102.67 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.039 -0.528 . . . . 2.14 111.082 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mt -123.39 164.6 18.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 1.03 111.109 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.513 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 21.7 m-85 -69.36 136.16 88.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 1.41 110.544 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.46 -10.15 12.84 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.546 2.164 . . . . 1.32 112.414 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -86.49 -32.53 20.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.424 -0.353 . . . . 2.01 110.724 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.513 ' HG3' ' HB2' ' A' ' 44' ' ' TYR . 2.9 mm-40 -77.76 -39.47 44.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 1.94 110.5 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.554 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.8 t -63.76 -45.67 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.88 110.907 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.48 -38.73 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 2.44 110.944 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -33.34 71.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 2.12 111.135 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 48' ' ' VAL . 15.9 mt -74.23 -48.9 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.293 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 p -53.33 -30.89 41.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 1.42 111.263 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -68.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.93 111.108 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.41 -32.76 72.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 2.48 111.265 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 8.7 ttpt -59.12 -35.32 73.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 1.77 111.191 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -35.33 74.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 3.02 110.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -93.93 70.51 3.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.327 -0.397 . . . . 2.99 110.997 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 40.44 75.85 0.11 Allowed Glycine 0 C--N 1.331 0.302 0 CA-C-N 115.628 -0.715 . . . . 2.05 113.412 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . 5.5 mmm180 -147.88 155.05 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 5.55 110.945 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.462 ' HB2' ' HB2' ' A' ' 63' ' ' ASN . 72.7 m -87.58 110.2 20.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 1.51 110.774 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.433 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.11 -37.04 81.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.39 111.336 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -64.87 -41.78 95.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.66 111.03 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.462 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 2.3 m-20 -61.31 -48.92 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 1.79 111.038 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.87 -45.9 84.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 1.72 110.871 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -57.28 -35.8 70.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.535 . . . . 0.5 110.742 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -39.63 94.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.65 111.155 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -62.74 -45.66 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 1.48 111.476 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.2 mt -71.81 -49.96 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 0.52 111.812 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -70.66 -14.04 62.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.63 110.96 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.89 83.14 0.35 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.664 -0.779 . . . . 1.08 112.452 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.73 -40.34 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 1.54 112.623 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -116.53 10.51 14.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 1.99 111.192 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -119.61 -14.58 9.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.53 111.01 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 51.63 47.15 25.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.188 -0.46 . . . . 3.1 111.067 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.25 -164.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 2.8 110.832 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.38 157.43 43.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.902 0.382 . . . . 1.17 111.351 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.457 HG11 HD23 ' A' ' 16' ' ' LEU . 4.6 m -63.26 -22.09 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 1.25 111.625 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.08 -54.27 48.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 2.24 110.885 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 m -55.62 -32.43 63.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 0.71 111.457 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 47.6 tp -60.38 -43.97 96.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 0.5 110.917 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -61.56 -57.51 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.73 110.939 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.85 -15.65 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.67 111.739 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.55 -59.83 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 1.23 110.901 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.557 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 31.4 m-85 -58.48 -25.87 62.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.46 111.336 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -33.77 53.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 1.59 110.721 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -59.54 -43.16 93.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 2.31 110.815 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.544 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -93.92 -0.61 55.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 1.57 110.807 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.3 46.11 16.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.541 . . . . 2.87 111.263 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 95.2 mt -89.88 77.08 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.338 -0.392 . . . . 1.31 110.867 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -54.31 -32.24 56.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 1.84 111.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -50.17 54.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.394 . . . . 1.98 111.112 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.57 -45.97 70.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.42 111.248 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.446 ' O ' HG13 ' A' ' 96' ' ' ILE . 31.2 mtm -60.48 -44.59 95.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 1.29 110.973 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 94' ' ' ARG . 4.5 ttp-105 -59.78 -19.2 49.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 3.39 111.747 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -72.6 -23.66 60.97 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.758 0.281 . . . . 0.79 111.758 -179.376 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 93' ' ' MET . 1.3 pt -108.47 -97.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 121.198 -0.201 . . . . 1.29 110.776 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 100' ' ' VAL . 0.1 OUTLIER 67.88 -69.76 0.14 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.787 0.291 . . . . 2.85 111.787 179.545 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -0.94 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.58 -0.282 . . . . 1.64 111.508 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.621 ' HB3' HD21 ' A' ' 16' ' ' LEU . 98.2 m-85 -108.98 -16.13 14.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.617 -0.265 . . . . 1.13 111.255 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 97' ' ' LYS . 28.5 m -98.61 -172.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.747 0.308 . . . . 1.37 111.226 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.41 148.45 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 2.53 111.05 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -84.52 -5.04 59.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 4.26 110.863 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.93 -35.08 79.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 3.15 111.104 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 0.8 OUTLIER -84.88 -38.19 19.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.463 -0.335 . . . . 1.91 111.329 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.56 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -60.85 105.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.296 0.569 . . . . 3.15 109.744 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER 175.69 -35.95 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.605 -0.725 . . . . 3.43 110.751 -179.206 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -89.58 -11.99 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.698 -0.683 . . . . 2.46 110.451 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.56 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.4 mp -51.02 110.25 1.69 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.529 -0.76 . . . . 2.67 111.243 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 108' ' ' ILE . 10.0 Cg_endo -51.98 128.68 27.72 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.786 2.324 . . . . 3.11 112.439 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.255 -0.879 . . . . 7.27 110.855 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.49 -0.244 . . . . 14.04 112.49 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -115.23 -76.51 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.745 0.307 . . . . 13.39 110.874 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 57.1 23.1 8.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 12.87 111.098 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -148.04 -49.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 11.46 110.785 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.31 45.67 27.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.185 -0.461 . . . . 7.75 110.997 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.5 -26.05 66.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 7.53 110.867 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tp -133.11 -76.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 5.67 110.828 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -158.66 -90.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 3.86 110.895 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -171.19 10.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 4.31 110.858 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -159.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 1.93 111.096 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.495 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -161.23 155.3 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 1.23 110.77 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.11 136.82 23.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.62 111.237 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.403 HD12 ' CB ' ' A' ' 75' ' ' HIS . 12.7 mt -56.2 -26.49 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.682 -0.69 . . . . 0.65 110.691 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -38.35 68.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 2.82 110.598 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -33.64 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 1.51 111.121 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.667 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.91 112.4 3.21 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.332 -0.394 . . . . 0.93 110.897 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD2' HD13 ' A' ' 16' ' ' LEU . 52.4 Cg_exo -53.11 123.0 12.14 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.444 2.096 . . . . 0.48 112.298 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.427 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -58.71 -47.69 98.24 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.183 -0.462 . . . . 1.64 111.529 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 84.4 Cg_exo -47.91 -29.44 11.72 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.341 2.027 . . . . 0.59 112.658 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.8 t -84.95 -41.56 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.302 -0.408 . . . . 0.65 111.052 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.667 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -59.54 -40.26 86.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 3.62 110.871 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.26 52.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 0.48 111.718 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -47.22 73.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.454 -0.339 . . . . 2.14 110.774 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.869 HD23 HD13 ' A' ' 95' ' ' LEU . 2.6 tm? -73.22 -29.03 62.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 1.51 110.302 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.5 m -59.41 -44.49 92.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.55 110.192 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.52 110.732 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -59.71 -56.8 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.412 -0.813 . . . . 0.72 111.276 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.833 HD11 HD13 ' A' ' 89' ' ' LEU . 3.9 mm? -60.03 -34.45 73.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 1.09 111.286 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.11 -34.13 71.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.332 -0.395 . . . . 1.2 111.104 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.68 -36.0 77.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.68 111.12 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -72.07 -8.57 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 1.16 111.167 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 53.54 62.27 2.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.443 . . . . 2.03 111.07 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.419 HG12 ' OE1' ' A' ' 36' ' ' GLN . 26.8 m -135.86 26.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.54 111.253 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -64.09 -39.47 94.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.5 110.634 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.37 -41.62 96.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 2.32 110.682 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 24.0 mt-30 -71.44 -29.06 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 3.29 110.533 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 4.9 mt -64.56 -49.34 71.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.161 0.505 . . . . 0.65 109.767 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -53.12 -64.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.584 -0.734 . . . . 0.41 111.078 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -25.13 66.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.51 111.7 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -52.56 -32.33 40.45 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.827 0.346 . . . . 0.47 110.732 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.425 HG13 HD13 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -105.13 -6.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.5 110.247 179.092 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.36 98.02 0.03 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.562 -0.745 . . . . 2.14 111.562 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.24 -171.19 2.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.094 -0.503 . . . . 1.03 110.664 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' O ' HG23 ' A' ' 48' ' ' VAL . 29.0 m-85 -70.23 127.95 91.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 1.41 110.936 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.45 -21.3 67.43 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.367 2.045 . . . . 1.32 112.131 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -82.58 -26.51 32.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 2.01 111.03 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -77.21 -28.68 53.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.391 -0.368 . . . . 1.94 110.477 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 44' ' ' TYR . 6.2 t -65.07 -32.81 59.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.88 110.748 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.54 -29.44 69.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 2.44 111.099 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.23 -35.67 74.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 2.12 110.993 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.3 mt -75.38 -36.91 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.47 111.045 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.1 t -54.99 -54.26 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 1.42 111.179 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.9 t -58.46 -47.75 83.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.93 111.277 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -60.86 -30.56 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 2.48 111.172 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -60.52 -35.43 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 1.77 111.116 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -60.45 -19.1 55.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 3.02 111.12 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.3 86.69 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 2.99 110.964 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.42 -37.76 0.9 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.749 -0.739 . . . . 2.05 112.638 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 56.8 21.79 6.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.779 0.323 . . . . 5.55 111.109 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.3 p -112.04 57.05 0.65 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 1.51 110.92 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.89 99.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.39 111.461 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.9 m -64.44 -40.53 95.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.66 110.921 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.65 -44.41 96.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 1.79 110.809 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.6 -43.32 90.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 1.72 110.48 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -57.63 -47.46 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.5 110.745 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.516 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -63.69 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.65 110.956 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.35 -58.07 7.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 1.48 111.454 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.45 -49.34 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.52 111.946 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 36.6 t90 -70.52 -23.97 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.504 -0.316 . . . . 0.63 111.08 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -124.33 60.9 0.6 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 1.08 112.477 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.03 -37.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 1.54 112.549 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -119.85 -19.55 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 1.99 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -84.76 -28.76 26.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 1.53 110.645 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 53.34 51.58 15.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 3.1 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.403 ' CB ' HD12 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -77.62 179.71 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 2.8 111.126 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.4 p -95.44 146.91 24.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.726 -0.67 . . . . 1.17 111.123 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.671 HG12 HG13 ' A' ' 100' ' ' VAL . 16.0 t -64.13 -25.06 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 1.25 110.863 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -41.45 89.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 2.24 110.917 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 m -55.24 -37.8 67.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.71 111.064 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.92 -39.72 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.5 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.43 -62.55 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.73 111.203 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.2 -16.42 44.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.67 111.629 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.425 HD13 HG13 ' A' ' 41' ' ' VAL . 25.7 tp -65.8 -54.65 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.23 111.114 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -58.14 -35.4 71.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.46 111.222 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -38.8 59.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 1.59 110.875 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.77 -40.77 84.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 2.31 110.96 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 3.02 56.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 1.57 110.93 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm 59.84 34.97 21.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.515 . . . . 2.87 111.332 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.833 HD13 HD11 ' A' ' 28' ' ' LEU . 12.8 mt -90.73 68.73 6.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.31 110.775 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -54.59 -40.08 68.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 1.84 111.347 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -57.78 -47.45 82.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.315 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.55 -42.13 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.42 111.481 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.451 ' O ' HG13 ' A' ' 96' ' ' ILE . 13.7 mtm -60.27 -42.16 94.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 1.29 111.592 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -59.51 -17.03 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.052 0.39 . . . . 3.39 112.052 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.869 HD13 HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -73.81 -24.02 59.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.65 0.262 . . . . 0.79 111.423 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -109.94 -93.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.565 -0.289 . . . . 1.29 110.761 179.686 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.8 OUTLIER 65.72 -74.05 0.06 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.769 0.318 . . . . 2.85 111.665 179.583 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.94 8.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.13 0.418 . . . . 1.64 112.13 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.444 ' H ' ' C ' ' A' ' 97' ' ' LYS . 83.8 m-85 -109.61 -16.54 13.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 1.13 110.891 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.671 HG13 HG12 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -100.09 -151.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 1.37 110.858 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.454 ' H ' ' HB ' ' A' ' 100' ' ' VAL . 3.5 t -49.98 153.16 1.42 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.929 0.395 . . . . 2.53 111.345 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.17 -24.63 37.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.02 -0.536 . . . . 4.26 111.404 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.54 -2.04 5.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 3.15 111.264 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.2 mt -84.17 -54.32 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.422 -0.353 . . . . 1.91 111.774 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.659 ' HA ' HD13 ' A' ' 108' ' ' ILE . 16.1 p80 -65.47 83.44 0.06 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.058 0.456 . . . . 3.15 111.137 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' H ' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -172.29 4.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.82 -0.627 . . . . 3.43 110.793 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.414 ' H ' ' H ' ' A' ' 106' ' ' LYS . 30.9 p90 -150.28 0.13 0.44 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.244 -0.435 . . . . 2.46 111.934 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.659 HD13 ' HA ' ' A' ' 105' ' ' HIS . 2.2 mp -58.48 112.42 4.92 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.475 0.179 . . . . 2.67 111.191 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 108' ' ' ILE . 10.8 Cg_endo -53.79 124.91 17.0 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.658 2.238 . . . . 3.11 112.27 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.259 -0.877 . . . . 7.27 111.01 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.512 -0.235 . . . . 14.04 112.512 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -137.68 76.52 1.58 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.783 0.325 . . . . 13.39 110.984 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -114.06 70.44 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 12.87 110.786 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.4 mtt 54.72 43.22 30.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 11.46 110.86 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.64 -179.72 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.871 -0.604 . . . . 7.75 111.213 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.61 165.56 12.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 7.53 110.995 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -30.15 66.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 5.67 110.899 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.32 162.09 27.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 3.86 110.858 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -165.8 63.91 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 4.31 110.943 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.44 -101.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.93 111.065 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -161.62 130.36 4.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 1.23 111.04 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB3' ' HG2' ' A' ' 14' ' ' ARG . . . -52.53 148.17 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.015 -0.538 . . . . 0.62 111.323 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mt -58.47 -20.93 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.467 -0.788 . . . . 0.65 110.819 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.54 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 2.5 ptm180 -56.19 -18.31 9.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 2.82 111.099 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -28.04 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 1.51 110.411 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -50.18 104.5 0.43 Allowed Pre-proline 0 C--O 1.231 0.124 0 CA-C-N 116.006 -0.543 . . . . 0.93 110.363 179.515 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HB2' HG23 ' A' ' 20' ' ' VAL . 26.9 Cg_exo -64.26 125.29 14.85 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.622 2.215 . . . . 0.48 112.653 -179.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 1.1 mt -64.0 -45.73 80.42 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.838 -0.619 . . . . 1.64 111.876 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 94.1 Cg_exo -44.22 -34.58 7.1 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.363 2.042 . . . . 0.59 112.808 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 17' ' ' PRO . 2.3 t -86.38 -43.99 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.65 110.992 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.637 HH21 HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -59.33 -26.12 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 3.62 110.891 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.49 -30.9 65.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.784 -0.643 . . . . 0.48 111.513 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -27.1 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 2.14 110.969 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.79 ' HB2' HD22 ' A' ' 95' ' ' LEU . 57.7 tp -88.15 -35.24 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 1.51 110.976 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.5 m -60.12 -42.54 94.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.55 110.339 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.33 96.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.851 -0.613 . . . . 0.52 111.086 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -60.45 -52.81 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.72 111.168 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.4 mm? -59.93 -24.62 64.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.065 -0.516 . . . . 1.09 111.414 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -32.79 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 1.2 110.802 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.62 -44.66 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.68 110.974 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -20.1 62.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 1.16 110.809 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 52.23 73.76 0.31 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 2.03 111.023 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.66 26.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.54 111.195 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.755 ' HA ' HD12 ' A' ' 37' ' ' LEU . 59.9 p-90 -66.63 -36.88 83.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.5 110.964 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -63.19 -35.95 82.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 2.32 110.675 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -71.97 -29.18 63.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.534 . . . . 3.29 110.626 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 34' ' ' TRP . 18.8 mt -65.09 -58.69 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.65 110.463 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.18 -55.9 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.41 111.235 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -61.14 -33.15 72.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.51 111.736 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.67 67.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.865 0.364 . . . . 0.47 111.071 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.98 4.53 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.5 110.57 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.452 ' HZ3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 61.67 110.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.674 -0.693 . . . . 2.14 111.37 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.98 156.07 46.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 1.03 110.797 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.39 157.52 89.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 1.41 110.728 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.22 -27.88 28.51 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.497 2.132 . . . . 1.32 111.728 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -31.73 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 2.01 110.326 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -78.64 -43.54 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 1.94 110.346 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HA ' HD12 ' A' ' 51' ' ' ILE . 53.0 t -63.02 -48.03 89.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.88 110.663 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.22 -40.48 90.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 2.44 110.292 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -27.98 67.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 2.12 111.009 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.486 HG23 ' HB3' ' A' ' 64' ' ' GLU . 24.4 mt -82.62 -56.21 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.47 111.198 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.4 p -52.84 -35.61 57.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 1.42 111.152 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 t -59.17 -68.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.93 110.864 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -62.3 -15.23 46.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 2.48 111.375 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 3.9 ttmt -58.32 -55.27 37.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.83 0.348 . . . . 1.77 110.945 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -15.23 36.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 3.02 111.201 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -92.21 70.37 5.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.388 -0.369 . . . . 2.99 110.957 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.09 57.27 1.35 Allowed Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.633 -0.712 . . . . 2.05 113.393 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.64 158.16 43.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 5.55 111.056 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.57 132.34 40.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.984 -0.553 . . . . 1.51 110.879 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.29 -41.01 96.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.39 111.295 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 m -65.71 -42.09 91.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.66 110.767 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.36 -49.98 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 1.79 110.824 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.486 ' HB3' HG23 ' A' ' 51' ' ' ILE . 4.1 tp10 -64.71 -38.87 92.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 1.72 110.603 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -58.01 -46.3 85.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.969 -0.56 . . . . 0.5 110.606 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HG ' HH11 ' A' ' 21' ' ' ARG . 3.6 mm? -64.09 -29.67 70.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.65 110.885 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.37 -20.3 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 1.48 111.198 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.6 mt -105.06 -57.9 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.355 -0.384 . . . . 0.52 111.516 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -71.23 -4.54 26.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.438 . . . . 0.63 111.036 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -131.02 44.03 1.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 1.08 112.563 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.61 -39.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 1.54 112.581 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -76.33 -45.98 29.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 1.99 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -98.49 -21.02 16.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 1.53 111.017 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 54.35 70.83 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 3.1 110.8 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -178.52 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 2.8 110.992 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.5 p -96.35 151.51 19.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 1.17 111.231 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.3 m -63.62 -24.87 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 1.25 110.688 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -63.62 -50.58 68.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 2.24 110.664 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -55.43 -33.31 63.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.71 111.064 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.618 HD21 HH21 ' A' ' 21' ' ' ARG . 50.0 tp -61.03 -45.89 92.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.076 -0.511 . . . . 0.5 110.815 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -61.0 -50.63 72.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.73 110.8 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.53 -22.03 64.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.67 111.37 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.9 tp -66.92 -54.5 21.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 1.23 111.086 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -58.07 -30.19 66.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.46 111.318 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -53.39 -32.72 50.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 1.59 111.029 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -43.46 91.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 2.31 110.88 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -92.88 -1.23 56.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 1.57 111.0 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm 56.66 46.99 19.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.111 -0.495 . . . . 2.87 111.055 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.505 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 57.8 mt -90.65 71.97 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 1.31 111.001 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -54.19 -28.43 40.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 1.84 111.195 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.3 -53.43 19.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.98 111.163 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.43 -32.62 50.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.42 111.621 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.5 mtt -58.79 -52.24 66.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 1.29 111.403 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -57.97 -17.79 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 3.39 111.768 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.79 HD22 ' HB2' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -83.91 -28.18 28.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.639 0.256 . . . . 0.79 111.343 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.637 HG21 HH21 ' A' ' 21' ' ' ARG . 1.1 pt -113.24 7.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.91 0.386 . . . . 1.29 111.108 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -19.85 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 2.85 110.882 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.97 -5.01 11.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.061 -0.518 . . . . 1.64 111.355 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -107.2 -43.49 4.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.508 -0.315 . . . . 1.13 111.192 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.485 HG23 HD13 ' A' ' 104' ' ' LEU . 5.1 m -97.0 148.22 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.403 -0.362 . . . . 1.37 111.071 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.1 p 177.86 43.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 2.53 111.263 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.556 ' HG3' ' H ' ' A' ' 103' ' ' ASP . 1.2 pt-20 -97.95 -67.99 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.055 0.455 . . . . 4.26 110.666 178.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.556 ' H ' ' HG3' ' A' ' 102' ' ' GLU . 26.9 t0 -92.87 -7.45 46.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 3.15 111.772 179.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.485 HD13 HG23 ' A' ' 100' ' ' VAL . 0.4 OUTLIER -85.29 -56.46 3.52 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 114.117 1.154 . . . . 1.91 114.117 -177.104 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.733 ' HA ' HD13 ' A' ' 108' ' ' ILE . 5.3 p80 -43.64 93.32 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.458 0.647 . . . . 3.15 112.282 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -179.99 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.22 -0.9 . . . . 3.43 109.965 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -98.02 -10.89 23.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.783 -0.644 . . . . 2.46 110.511 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.5 mp -51.2 125.43 24.7 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 115.885 -0.598 . . . . 2.67 111.419 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -84.84 178.75 4.66 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.714 2.276 . . . . 3.11 112.429 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 110' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.257 -0.878 . . . . 7.27 111.0 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.584 -0.207 . . . . 14.04 112.584 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.35 105.23 4.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.694 0.283 . . . . 13.39 110.87 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.4 m80 58.27 -90.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 12.87 111.169 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.0 ttm 61.02 175.47 0.11 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.367 -0.378 . . . . 11.46 111.116 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m 54.18 58.76 4.7 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.006 -0.543 . . . . 7.75 111.146 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -129.99 171.71 12.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 7.53 110.867 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -68.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 5.67 110.703 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -166.06 40.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 3.86 110.589 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 57.18 -101.53 0.13 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 4.31 110.789 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 47.04 86.68 0.02 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.86 0.362 . . . . 1.93 111.604 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 130.57 45.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 1.23 110.836 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HA ' ' HA ' ' A' ' 76' ' ' THR . . . -50.04 151.58 1.91 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.142 -0.481 . . . . 0.62 110.866 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.645 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.1 mt -49.95 -28.5 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.753 -0.658 . . . . 0.65 110.786 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.92 -43.06 76.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.064 -0.516 . . . . 2.82 110.424 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -35.73 67.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 1.51 110.429 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.431 HD13 ' HD2' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -53.11 115.59 7.79 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.93 110.828 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' HD13 ' A' ' 16' ' ' LEU . 33.5 Cg_exo -59.48 121.35 9.74 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.357 2.038 . . . . 0.48 112.083 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -57.04 -47.5 98.99 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.102 -0.499 . . . . 1.64 111.538 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 83.9 Cg_exo -48.72 -34.75 28.37 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.372 2.048 . . . . 0.59 112.716 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.3 t -85.54 -32.2 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.44 -0.345 . . . . 0.65 110.943 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.651 HH22 HG21 ' A' ' 96' ' ' ILE . 6.8 tpm_? -60.5 -32.28 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 3.62 110.898 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.21 -15.83 11.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.975 -0.557 . . . . 0.48 111.691 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.468 ' OE1' HD21 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -66.25 -56.1 12.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.443 -0.344 . . . . 2.14 110.857 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.648 HD23 HD13 ' A' ' 95' ' ' LEU . 1.6 tm? -64.07 -37.42 87.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 1.51 110.587 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.3 m -58.43 -45.9 87.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.936 0.398 . . . . 0.55 110.283 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.05 82.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.56 . . . . 0.52 110.647 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -61.69 -60.69 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.673 -0.694 . . . . 0.72 111.114 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 24' ' ' LEU . 1.3 mt -59.47 -26.37 65.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 1.09 111.638 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -54.59 -35.06 62.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.411 -0.359 . . . . 1.2 111.129 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.85 -38.49 79.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.68 111.04 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.06 -23.91 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 1.16 111.082 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.74 67.77 0.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 2.03 110.909 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.2 m -137.16 21.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.54 111.155 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.711 ' HA ' HD12 ' A' ' 37' ' ' LEU . 29.3 p-90 -61.67 -33.07 73.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.5 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.92 -33.52 75.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 2.32 110.813 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.45 -33.33 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 3.29 110.875 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 34' ' ' TRP . 4.9 mt -64.77 -58.4 6.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.65 110.715 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.79 -55.86 12.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 0.41 111.545 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 m -60.31 -40.22 89.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.51 111.47 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.53 66.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.423 -0.353 . . . . 0.47 111.175 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.3 m -104.23 3.9 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.5 111.003 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 tptt 58.74 93.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.929 -0.578 . . . . 2.14 110.995 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.81 158.01 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 1.03 110.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 87.3 m-85 -69.15 130.88 90.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.41 110.677 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 47.9 Cg_exo -57.06 -19.95 35.19 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.48 2.12 . . . . 1.32 112.354 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.99 -31.4 39.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 2.01 110.747 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.2 -32.12 49.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 1.94 110.798 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.402 ' HA ' HD12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -64.04 -37.33 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.085 0.469 . . . . 0.88 110.285 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -40.59 90.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.582 -0.736 . . . . 2.44 110.587 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.74 -40.39 87.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 2.12 110.946 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' ' 64' ' ' GLU . 17.3 mt -67.15 -48.3 79.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.47 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 t -53.78 -33.03 54.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 1.42 111.067 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -62.1 2.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.93 111.019 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -61.27 -36.28 79.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 2.48 111.069 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -61.09 -34.05 74.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.77 111.082 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -22.16 62.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 3.02 111.051 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.16 90.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 2.99 110.859 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.93 -15.82 5.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.818 -0.706 . . . . 2.05 112.598 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 55.01 -152.41 0.35 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.558 0.218 . . . . 5.55 110.809 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 58.27 48.37 12.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.942 0.401 . . . . 1.51 110.847 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.689 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -60.72 -29.36 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.555 . . . . 0.39 111.263 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -28.44 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.66 110.87 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -61.07 -51.42 69.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 1.79 110.585 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.486 ' HB2' HG23 ' A' ' 51' ' ' ILE . 10.4 mm-40 -65.61 -40.46 92.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 1.72 110.595 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.21 -46.61 82.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.5 110.663 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.47 -31.4 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.65 111.014 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.31 -51.74 64.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 1.48 111.343 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.8 mt -72.96 -50.54 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.52 111.743 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -70.74 -11.15 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.63 111.091 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.645 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -116.31 54.85 0.57 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 1.08 112.482 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -171.16 -37.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.815 -0.707 . . . . 1.54 112.471 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.16 -9.99 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 1.99 110.801 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -111.47 -20.21 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 1.53 110.802 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m120 57.33 31.21 19.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.077 -0.511 . . . . 3.1 111.412 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.401 ' O ' HD12 ' A' ' 13' ' ' ILE . 7.2 m-70 -77.85 143.5 37.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 2.8 110.773 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 8.5 p -89.13 178.37 6.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 1.17 111.106 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 t -63.63 -23.06 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 1.25 111.108 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -57.9 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 2.24 110.806 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.7 m -53.6 -36.26 61.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.71 110.937 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.1 tp -61.74 -39.46 91.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.933 -0.576 . . . . 0.5 110.736 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.658 ' HB2' HG21 ' A' ' 100' ' ' VAL . 25.8 t80 -60.82 -48.78 80.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.027 -0.533 . . . . 0.73 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.01 -25.68 67.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.67 111.301 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.511 HD22 HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -66.02 -51.69 56.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 1.23 110.885 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -57.84 -34.55 69.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.46 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -53.58 -37.47 62.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 1.59 111.107 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -41.05 84.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 2.31 111.109 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -92.6 1.01 57.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 1.57 111.183 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? 56.94 45.82 20.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.426 . . . . 2.87 111.179 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.475 HD13 HD21 ' A' ' 28' ' ' LEU . 30.8 mt -89.32 80.3 6.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 1.31 110.75 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.39 -32.61 50.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 1.84 111.311 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.06 -56.45 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 1.98 111.245 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.56 -38.59 55.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.42 111.436 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.8 mtp -59.68 -62.3 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.391 -0.368 . . . . 1.29 110.829 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -60.63 -12.61 10.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.514 . . . . 3.39 111.258 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.648 HD13 HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -74.1 -26.34 60.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.79 111.334 -179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.651 HG21 HH22 ' A' ' 21' ' ' ARG . 0.7 OUTLIER -132.5 71.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.871 0.367 . . . . 1.29 111.522 -179.653 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.25 -50.9 4.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 2.85 110.927 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -4.28 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 1.64 111.575 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -107.34 -23.12 12.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 1.13 111.25 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.959 HG12 HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -97.72 -167.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 1.37 111.792 -178.809 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.774 ' N ' HG13 ' A' ' 100' ' ' VAL . 4.3 m -50.75 170.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.552 -0.749 . . . . 2.53 111.75 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 0.0 OUTLIER -87.56 -2.71 58.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.693 -0.685 . . . . 4.26 111.168 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -50.43 73.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 3.15 111.662 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.959 HD21 HG12 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -85.55 42.37 0.95 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.902 0.382 . . . . 1.91 111.268 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 1.8 m-70 -122.59 70.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 3.15 110.234 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.29 -36.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.91 -0.586 . . . . 3.43 110.956 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -88.99 -1.42 58.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.819 -0.628 . . . . 2.46 110.366 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.3 mp -50.89 130.93 29.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.737 -0.665 . . . . 2.67 111.028 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.34 117.3 5.03 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.417 2.078 . . . . 3.11 112.401 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.248 -0.882 . . . . 7.27 110.851 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.501 -0.24 . . . . 14.04 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -90.51 30.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 13.39 110.885 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -143.3 134.27 25.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 12.87 110.893 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.4 92.8 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 11.46 110.918 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -124.4 65.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 7.75 110.719 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.33 99.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.967 -0.561 . . . . 7.53 110.991 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.17 -159.37 0.3 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.052 -0.522 . . . . 5.67 110.812 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.6 91.82 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.32 -0.4 . . . . 3.86 111.01 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -120.93 34.49 5.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 4.31 110.883 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.9 p -106.26 -115.4 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 1.93 110.941 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -161.58 127.32 3.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.643 0.258 . . . . 1.23 110.757 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.532 ' HB1' ' CE1' ' A' ' 75' ' ' HIS . . . -50.91 155.06 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.62 111.125 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.632 ' HB ' ' HB2' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -53.94 -27.55 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.65 110.747 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -37.35 71.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.026 0.441 . . . . 2.82 110.232 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -35.38 66.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.793 -0.64 . . . . 1.51 110.587 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.562 HD21 HG22 ' A' ' 77' ' ' VAL . 3.7 mm? -52.07 117.56 10.35 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.808 -0.633 . . . . 0.93 110.858 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.6 117.69 4.43 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.3 2.0 . . . . 0.48 111.991 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.598 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -61.74 -49.83 84.48 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.308 -0.406 . . . . 1.64 111.844 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 12.9 Cg_endo -56.0 -30.44 78.19 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.217 1.945 . . . . 0.59 112.688 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -86.11 -42.89 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.65 111.053 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HE ' ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -61.04 -31.72 71.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 3.62 110.906 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' HA ' ' HB2' ' A' ' 25' ' ' CYS . . . -58.09 -14.09 6.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.48 111.406 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -67.44 -52.03 44.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 2.14 111.083 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.692 HD13 HD22 ' A' ' 95' ' ' LEU . 46.9 tp -77.69 -25.26 49.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.491 -0.322 . . . . 1.51 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -59.54 -42.82 93.2 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.662 -0.496 . . . . 0.55 109.662 179.486 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.21 94.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.548 -0.751 . . . . 0.52 110.54 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.464 ' HB3' HD12 ' A' ' 24' ' ' LEU . 44.8 t-80 -59.57 -54.76 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.283 -0.872 . . . . 0.72 111.283 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.13 -41.44 79.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 1.09 111.05 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.32 -24.51 59.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 1.2 110.679 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.46 -34.03 75.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.68 110.598 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.98 2.71 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.84 -0.618 . . . . 1.16 110.619 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 61.24 43.48 10.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.826 -0.625 . . . . 2.03 110.9 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.671 ' HB ' ' HG2' ' A' ' 36' ' ' GLN . 17.3 m -134.59 61.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.54 111.356 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.534 ' HA ' HD12 ' A' ' 37' ' ' LEU . 51.1 p-90 -87.71 -27.81 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.354 -0.61 . . . . 0.5 109.354 178.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -26.98 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.27 -0.877 . . . . 2.32 110.795 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.671 ' HG2' ' HB ' ' A' ' 33' ' ' VAL . 1.3 pp0? -69.15 -33.12 72.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.711 -0.677 . . . . 3.29 111.262 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 34' ' ' TRP . 1.2 mt -69.63 -60.91 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.789 0.328 . . . . 0.65 110.868 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.64 -55.94 16.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.41 111.621 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.1 m -60.42 -34.34 73.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.51 111.964 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -54.26 -35.76 62.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.809 0.338 . . . . 0.47 111.115 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG11 ' NE1' ' A' ' 69' ' ' TRP . 25.9 m -106.22 2.61 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.5 110.836 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.6 96.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.862 -0.608 . . . . 2.14 110.937 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -114.02 157.35 22.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.03 111.073 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.448 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 76.1 m-85 -68.96 132.09 90.6 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 1.41 110.56 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.9 -17.35 23.53 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.558 2.172 . . . . 1.32 112.666 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.96 -33.77 33.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 2.01 110.594 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.448 ' HG3' ' HB2' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -77.62 -29.89 52.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 1.94 110.267 179.454 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.04 -31.16 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.917 -0.583 . . . . 0.88 110.625 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.17 -36.8 75.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 2.44 110.893 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -49.44 77.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 2.12 111.287 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.2 mt -61.22 -52.19 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.47 111.514 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -32.71 49.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 1.42 111.551 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -58.7 -69.02 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.385 -0.37 . . . . 0.93 111.418 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.18 -29.41 69.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 2.48 111.239 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 9.7 ttpt -59.42 -42.83 92.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 1.77 111.213 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -59.82 -26.71 66.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 3.02 111.154 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -93.05 70.52 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.38 . . . . 2.99 110.969 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 33.24 69.92 0.14 Allowed Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.672 -0.694 . . . . 2.05 113.347 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -146.61 162.68 37.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 5.55 111.075 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.32 117.13 27.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 1.51 110.891 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.75 -39.35 91.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.39 111.296 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.3 m -64.74 -35.8 82.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.66 111.234 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -60.69 -54.7 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 1.79 111.043 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.73 -40.62 95.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 1.72 110.765 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.84 -43.57 77.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.922 -0.581 . . . . 0.5 110.995 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.484 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -65.84 -38.3 88.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.65 111.54 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.29 -20.21 64.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 1.48 112.138 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.12 -36.87 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.815 0.34 . . . . 0.52 111.703 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.494 ' NE1' HG11 ' A' ' 41' ' ' VAL . 35.6 t90 -71.87 -52.53 16.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.26 -0.427 . . . . 0.63 111.118 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.94 73.73 1.91 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 1.08 112.543 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.45 -33.62 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.861 -0.685 . . . . 1.54 112.405 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.81 30.91 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.979 0.419 . . . . 1.99 110.714 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 74' ' ' ASN . 27.4 m-85 -143.71 32.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.93 -0.577 . . . . 1.53 110.681 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 76' ' ' THR . 7.8 m120 75.68 -23.94 0.23 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.703 -0.681 . . . . 3.1 111.195 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.632 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 15.8 p80 37.17 -136.6 0.05 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.167 -0.47 . . . . 2.8 112.247 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 74' ' ' ASN . 9.6 p 80.36 151.66 0.11 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.126 0.97 . . . . 1.17 111.171 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.562 HG22 HD21 ' A' ' 16' ' ' LEU . 2.2 t -60.78 -49.25 85.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.616 -0.72 . . . . 1.25 111.915 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -48.99 -44.1 40.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.86 0.362 . . . . 2.24 110.466 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 m -57.51 -41.75 81.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.899 -0.591 . . . . 0.71 110.993 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 84' ' ' PHE . 52.8 tp -61.35 -39.41 90.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.061 -0.518 . . . . 0.5 111.016 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -60.6 -33.91 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.73 110.759 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.79 86.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.67 111.221 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.65 -51.46 59.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 1.23 111.06 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.834 ' HB3' HD11 ' A' ' 89' ' ' LEU . 11.2 m-30 -56.85 -60.94 2.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.018 -0.537 . . . . 0.46 111.211 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -51.14 -30.49 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.725 0.298 . . . . 1.59 111.526 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -59.92 -35.57 75.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 2.31 111.677 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 36' ' ' GLN . 13.8 tp -92.17 3.42 55.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.492 -0.322 . . . . 1.57 111.702 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? 55.11 51.33 13.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 2.87 110.987 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.834 HD11 ' HB3' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -89.57 72.26 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.31 111.005 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.25 -18.98 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 1.84 112.206 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 1.3 m120 -89.18 -60.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.695 0.283 . . . . 1.98 111.53 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.732 ' HB3' HD22 ' A' ' 89' ' ' LEU . . . -53.6 -23.88 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.42 111.764 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.37 -59.44 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 1.29 111.52 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.514 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 5.6 ptm180 -58.1 -16.51 13.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 3.39 111.979 -179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.692 HD22 HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -73.17 -38.93 66.02 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.558 0.207 . . . . 0.79 111.558 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.424 HG23 HD22 ' A' ' 24' ' ' LEU . 2.1 pt -114.6 10.25 7.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.757 0.313 . . . . 1.29 111.141 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.682 ' HD3' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -68.63 -29.85 68.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 2.85 110.567 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.63 2.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.928 -0.578 . . . . 1.64 111.61 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -102.47 -40.02 6.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.82 0.343 . . . . 1.13 110.936 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.888 HG23 HD11 ' A' ' 104' ' ' LEU . 17.9 m -97.63 -164.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 1.37 110.493 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.663 ' HA ' HD12 ' A' ' 104' ' ' LEU . 92.3 p 178.84 -56.98 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.761 0.315 . . . . 2.53 111.444 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.482 ' HG2' ' H ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -49.93 -45.07 50.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.925 -0.58 . . . . 4.26 111.197 -179.632 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.482 ' H ' ' HG2' ' A' ' 102' ' ' GLU . 0.4 OUTLIER -69.15 -28.01 66.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 3.15 111.467 -179.785 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.888 HD11 HG23 ' A' ' 100' ' ' VAL . 1.4 mt -84.96 -22.55 29.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.523 -0.308 . . . . 1.91 111.657 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -69.27 76.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 3.15 110.956 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.42 ' H ' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -178.48 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.928 -0.578 . . . . 3.43 110.804 -179.726 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.42 ' H ' ' H ' ' A' ' 106' ' ' LYS . 7.0 p90 -150.71 7.68 0.56 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.235 -0.439 . . . . 2.46 111.744 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.96 130.44 39.24 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.793 -0.185 . . . . 2.67 111.093 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.25 151.48 22.27 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.372 2.048 . . . . 3.11 112.217 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.182 -0.913 . . . . 7.27 110.953 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.0 ptm . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.889 0.376 . . . . 1.23 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.02 144.6 11.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.0 -0.545 . . . . 0.62 111.239 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.533 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.3 mt -57.34 -29.86 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.636 . . . . 0.65 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -29.12 54.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 2.82 110.518 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tt -78.89 -36.43 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.827 -0.624 . . . . 1.51 110.42 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.32 111.7 2.54 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.888 -0.597 . . . . 0.93 110.915 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.52 120.12 7.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.341 2.027 . . . . 0.48 112.176 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.614 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -57.43 -49.45 93.81 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.144 -0.48 . . . . 1.64 111.808 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.7 Cg_endo -53.86 -23.01 25.72 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.209 1.94 . . . . 0.59 112.365 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.454 HG11 ' OH ' ' A' ' 99' ' ' TYR . 85.3 t -86.23 -42.06 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.65 110.807 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -60.24 -26.3 66.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 3.62 110.951 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -24.38 50.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.48 111.294 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -43.28 80.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 2.14 110.953 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tt -75.3 -42.15 55.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.51 110.923 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.7 m -57.57 -45.49 85.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.021 0.438 . . . . 0.55 110.347 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.15 90.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.52 110.832 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -62.96 -60.57 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.7 -0.682 . . . . 0.72 111.01 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.08 -23.27 61.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 1.09 111.184 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -60.49 -37.49 81.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 1.2 111.052 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.71 -29.67 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.68 110.994 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -16.26 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.16 111.034 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.06 53.94 9.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 2.03 110.967 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.41 32.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.54 111.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.708 ' HA ' HD12 ' A' ' 37' ' ' LEU . 40.5 p-90 -65.59 -38.11 88.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.5 110.856 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -29.31 70.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 2.32 110.943 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.548 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -72.03 -7.76 50.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 3.29 110.992 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.9 mt -93.97 -58.48 2.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.322 -0.399 . . . . 0.65 110.096 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 -56.08 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.41 111.109 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -61.34 -35.51 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.51 111.404 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -56.22 -34.29 66.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.513 -0.312 . . . . 0.47 111.356 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.3 m -102.05 4.82 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.396 -0.366 . . . . 0.5 110.896 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.46 102.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.893 -0.594 . . . . 2.14 111.13 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -132.7 157.59 44.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.03 110.997 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.451 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 39.3 m-85 -69.74 137.32 87.9 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 1.41 110.664 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 31.6 Cg_exo -59.97 -21.72 66.02 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.564 2.176 . . . . 1.32 112.471 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -68.41 -32.11 71.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.418 -0.355 . . . . 2.01 110.831 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -32.89 48.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 1.94 110.643 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.563 ' HA ' HD12 ' A' ' 51' ' ' ILE . 28.0 t -63.82 -32.68 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.88 110.925 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -46.56 89.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 2.44 111.055 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.85 -32.47 69.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 2.12 111.36 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 48' ' ' VAL . 16.3 mt -76.91 -47.98 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.47 111.212 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -54.09 -52.84 59.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 1.42 111.296 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -57.93 -41.01 81.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.93 111.245 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -41.34 97.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 2.48 111.21 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -60.12 -30.59 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 1.77 111.27 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 3.02 111.162 -179.758 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . 15.8 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.74 0.305 . . . . 1.51 110.948 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.06 82.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.39 111.189 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -33.75 76.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.66 110.805 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.4 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 0.1 OUTLIER -60.67 -51.29 70.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 1.79 110.285 179.551 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.66 -38.2 88.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 1.72 110.406 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -56.63 -48.08 78.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.845 -0.616 . . . . 0.5 110.674 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.83 -34.27 77.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.65 110.891 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -64.0 -26.2 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 1.48 111.464 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.9 mt -94.98 -53.97 7.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.511 -0.313 . . . . 0.52 111.603 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -71.0 -11.57 61.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.63 111.008 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.533 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -130.4 58.63 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 1.08 112.474 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.34 -29.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.878 -0.677 . . . . 1.54 112.397 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -100.46 -44.01 6.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.861 0.362 . . . . 1.99 110.805 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -100.7 -26.78 13.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 1.53 110.784 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 65.44 145.64 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.005 -0.543 . . . . 3.1 111.361 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.401 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -161.41 -152.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 2.8 110.46 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.4 p -144.76 158.91 43.6 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.835 0.35 . . . . 1.17 111.064 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.01 -17.81 21.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 1.25 111.317 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -63.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 2.24 110.919 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 m -55.87 -34.01 65.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 0.71 111.283 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 57.7 tp -61.22 -33.85 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.5 111.232 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.35 -60.01 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.73 111.177 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.12 -16.14 40.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.67 111.721 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 32.6 tp -66.29 -54.21 27.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.7 0.286 . . . . 1.23 111.033 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -58.56 -26.59 63.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.46 111.218 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -54.73 -18.28 4.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 1.59 111.177 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.3 -57.47 12.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 2.31 111.344 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mt -92.87 10.52 30.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 1.57 111.252 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt 54.4 51.24 14.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 2.87 110.874 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -89.1 79.0 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 1.31 111.104 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -54.89 -27.78 45.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.125 -0.489 . . . . 1.84 110.978 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 27.7 m120 -68.22 -56.12 9.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.98 110.916 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.14 -33.69 58.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 0.42 111.221 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -66.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 1.29 111.238 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -58.28 -17.02 16.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 3.39 111.402 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -40.06 89.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.472 -0.331 . . . . 0.79 110.962 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.83 49.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 1.29 111.285 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 -33.23 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 2.85 110.677 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.18 1.31 3.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 1.64 111.347 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.454 ' OH ' HG11 ' A' ' 20' ' ' VAL . 78.9 m-85 -110.79 -12.47 14.28 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.753 0.279 . . . . 1.13 111.753 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.332 -0.187 0 CA-C-O 120.758 0.313 . . . . 1.37 110.998 179.666 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.6 ptm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.829 0.347 . . . . 1.23 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HA ' HG22 ' A' ' 76' ' ' THR . . . -51.91 155.27 1.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.08 -0.509 . . . . 0.62 111.117 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.417 HG21 ' HA3' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -56.19 -32.33 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.65 110.692 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -56.82 -34.86 68.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.52 . . . . 2.82 110.315 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.22 -40.47 96.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.88 -0.6 . . . . 1.51 110.491 179.49 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -53.5 112.14 3.41 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.824 -0.625 . . . . 0.93 110.822 179.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD2' HD13 ' A' ' 16' ' ' LEU . 37.7 Cg_exo -57.84 120.83 8.98 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.254 1.969 . . . . 0.48 112.007 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.41 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 3.6 mt -54.12 -48.26 94.74 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.157 -0.474 . . . . 1.64 111.679 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 73.1 Cg_exo -48.71 -29.37 14.38 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.228 1.952 . . . . 0.59 112.455 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.04 -35.87 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.65 111.065 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.488 ' NH1' HD21 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.59 -30.3 68.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 3.62 110.945 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -20.88 29.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.48 111.488 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -55.57 12.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 2.14 111.016 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.601 HD23 HD13 ' A' ' 95' ' ' LEU . 2.5 tm? -74.66 -30.77 61.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 1.51 110.815 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.7 m -59.01 -45.54 90.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.003 0.43 . . . . 0.55 110.458 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.1 99.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.823 -0.626 . . . . 0.52 110.847 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -59.83 -54.75 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.531 -0.759 . . . . 0.72 111.021 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 24' ' ' LEU . 3.7 mm? -58.52 -29.27 66.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 1.09 110.938 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -72.01 -34.2 68.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.2 110.893 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.51 81.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.68 110.982 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.43 -8.76 55.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 1.16 110.91 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 53.68 63.76 2.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 2.03 111.16 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 m -137.26 19.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.54 111.142 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 20.5 p-90 -61.51 -35.62 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.5 110.926 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -63.22 -33.27 75.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 2.32 110.877 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.19 -31.19 65.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 3.29 110.909 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.44 -56.46 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.65 110.521 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -58.36 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 0.41 111.431 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -60.36 -33.3 72.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.51 111.718 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.64 -34.28 64.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.46 -0.336 . . . . 0.47 111.445 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -104.58 5.55 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.5 111.104 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.85 94.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 2.14 111.024 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.94 161.79 28.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 1.03 110.795 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 47.7 m-85 -69.7 137.47 88.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 1.41 110.628 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 32.5 Cg_exo -58.66 -21.04 53.67 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.478 2.119 . . . . 1.32 112.349 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -30.31 65.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 2.01 110.577 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -78.41 -42.23 30.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 1.94 110.531 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 51' ' ' ILE . 21.1 t -63.98 -40.18 88.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.046 -0.525 . . . . 0.88 110.844 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -60.25 -40.0 88.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.92 -0.582 . . . . 2.44 110.886 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.87 67.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 2.12 110.968 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 48' ' ' VAL . 21.5 mt -73.13 -49.61 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.47 111.159 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -33.79 58.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 1.42 111.109 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -68.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.93 111.11 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -61.1 -24.28 66.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 2.48 111.044 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -60.78 -34.42 74.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 1.77 111.012 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 3.02 111.038 -179.857 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.824 0.345 . . . . 1.51 110.883 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.97 90.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.39 111.385 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 m -64.24 -30.05 71.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.66 111.014 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.9 -55.89 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 1.79 110.889 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -64.98 -37.87 89.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 1.72 110.736 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -57.62 -46.54 83.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.5 110.869 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.3 -36.86 85.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.65 111.213 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.88 -29.11 70.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 1.48 111.634 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mt -88.41 -54.81 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.52 111.718 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -69.92 -15.1 63.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.63 110.926 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.417 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -117.7 58.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 1.08 112.551 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -166.26 -32.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.73 -0.748 . . . . 1.54 112.422 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -113.92 11.62 17.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 1.99 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -121.44 -23.34 5.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 1.53 110.85 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 56.2 45.35 23.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.143 -0.48 . . . . 3.1 111.244 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -77.5 -162.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 2.8 110.684 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 12' ' ' ALA . 30.4 p -144.99 172.56 12.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.391 -0.368 . . . . 1.17 110.707 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 99' ' ' TYR . 29.3 m -63.94 -17.36 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 1.25 111.15 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.41 -63.63 1.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 2.24 110.946 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -53.97 -35.51 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.71 111.177 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.488 HD21 ' NH1' ' A' ' 21' ' ' ARG . 31.8 tp -60.77 -50.99 71.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.5 110.949 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -61.38 -54.43 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.73 111.309 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.447 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -60.28 -23.84 64.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.67 111.729 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.36 -44.93 81.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.563 -0.29 . . . . 1.23 111.161 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -58.85 -32.52 69.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.46 111.225 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.447 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -53.35 -43.3 67.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 1.59 111.109 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -60.0 -30.94 69.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 2.31 111.177 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.08 -6.57 47.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 1.57 110.941 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt 57.03 43.0 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 2.87 111.17 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.6 mt -89.28 80.07 6.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 1.31 110.897 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -54.88 -34.95 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 1.84 111.148 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.64 -55.97 8.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 1.98 110.931 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.63 47.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 0.42 111.126 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 mtm -58.62 -66.53 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 1.29 110.858 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.463 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 7.2 ptm180 -58.77 -21.73 56.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.142 -0.481 . . . . 3.39 110.8 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.601 HD13 HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.36 -35.11 79.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.79 110.975 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.447 HG22 HH22 ' A' ' 21' ' ' ARG . 1.8 pt -118.21 25.92 4.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 1.29 111.094 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -87.45 76.66 8.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.089 -0.505 . . . . 2.85 111.012 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -176.4 -19.63 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 1.64 111.556 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.464 ' O ' HG21 ' A' ' 77' ' ' VAL . 56.2 m-85 -104.04 3.7 33.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.716 0.293 . . . . 1.13 111.045 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 1.37 111.225 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.9 ptm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.78 0.324 . . . . 1.23 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.77 145.43 9.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.62 111.128 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.691 HD12 ' HB3' ' A' ' 75' ' ' HIS . 1.4 mt -55.72 -26.72 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.65 110.739 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -54.63 -38.94 67.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 2.82 110.606 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -40.12 94.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 1.51 110.782 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD23 HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -51.42 108.75 1.13 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.024 -0.534 . . . . 0.93 111.08 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.21 128.8 28.65 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.349 2.033 . . . . 0.48 112.329 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.612 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -62.45 -49.9 81.45 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.173 -0.467 . . . . 1.64 111.685 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.1 Cg_endo -53.35 -30.41 52.34 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.142 1.894 . . . . 0.59 112.366 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.25 -37.82 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.65 110.79 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' HE ' ' HB3' ' A' ' 66' ' ' LEU . 4.7 ttp180 -61.06 -34.4 74.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.994 -0.548 . . . . 3.62 110.787 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -24.12 49.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 0.48 111.223 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -67.14 -46.45 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 2.14 110.576 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD21 ' CE2' ' A' ' 84' ' ' PHE . 37.6 tp -72.4 -37.89 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 1.51 110.651 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.7 m -59.59 -39.42 84.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.55 110.188 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.92 99.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 0.52 110.515 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -60.07 -51.33 70.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.451 -0.795 . . . . 0.72 110.683 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.58 -36.4 76.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.847 -0.615 . . . . 1.09 111.077 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.0 -32.97 74.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 1.2 110.899 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.79 81.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.68 111.132 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -9.88 58.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 1.16 111.05 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 55.12 57.06 5.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 2.03 110.979 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.85 31.27 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.54 110.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.63 ' HA ' HD12 ' A' ' 37' ' ' LEU . 49.1 p-90 -70.1 -35.93 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.5 110.87 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.6 -30.32 71.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 2.32 110.874 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -71.96 -29.36 64.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 3.29 110.861 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 34' ' ' TRP . 13.1 mt -65.65 -59.66 3.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.368 -0.378 . . . . 0.65 110.263 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.87 38.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 0.41 111.194 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -61.28 -35.74 78.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.51 111.397 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.36 -33.27 65.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.4 -0.364 . . . . 0.47 111.047 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.517 HG23 ' HG ' ' A' ' 43' ' ' LEU . 35.6 m -103.39 1.57 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.5 110.585 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.53 93.08 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.685 -0.688 . . . . 2.14 111.346 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.517 ' HG ' HG23 ' A' ' 41' ' ' VAL . 48.9 mt -117.95 156.03 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 1.03 110.69 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' VAL . 62.7 m-85 -69.86 128.77 91.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 1.41 110.817 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.56 -24.04 34.73 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.392 2.061 . . . . 1.32 112.437 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -37.97 68.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.429 . . . . 2.01 110.787 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -36.46 45.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.94 110.849 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' TYR . 16.3 t -64.87 -24.97 36.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.88 110.935 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.48 -32.62 70.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.976 -0.556 . . . . 2.44 111.016 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -59.64 -33.66 71.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 2.12 110.984 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.7 mt -75.91 -51.83 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.47 111.306 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -43.78 72.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 1.42 111.272 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -58.55 -57.17 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.93 111.368 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.59 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -61.85 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 2.48 110.83 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.705 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -60.46 -33.7 72.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.77 111.16 -179.686 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 3.02 111.185 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.02 0.438 . . . . 1.51 110.794 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.705 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.22 -29.53 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.936 -0.575 . . . . 0.39 111.181 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -64.81 -36.13 83.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.66 111.054 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -53.01 62.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 1.79 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.59 ' HG3' ' HG2' ' A' ' 54' ' ' GLN . 15.2 mm-40 -64.39 -42.26 96.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 1.72 110.902 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -56.61 -44.3 81.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.5 110.797 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB3' ' HE ' ' A' ' 21' ' ' ARG . 1.1 mm? -65.35 -33.95 77.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.65 111.197 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.574 HD21 HD11 ' A' ' 18' ' ' LEU . 1.6 m-80 -63.52 -52.64 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 1.48 111.631 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 64' ' ' GLU . 3.3 mt -70.62 -50.11 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.52 111.872 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -70.11 -63.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.63 111.009 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.458 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -83.6 87.21 1.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.65 -0.786 . . . . 1.08 112.562 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 158.53 -34.03 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 1.54 112.526 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -96.36 -39.5 9.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 1.99 111.03 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -81.0 -2.16 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 1.53 110.946 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 55.49 47.52 20.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.028 0.442 . . . . 3.1 110.7 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.691 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -76.79 -163.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 2.8 111.019 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 61.6 p -143.64 161.98 37.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.37 -0.377 . . . . 1.17 110.854 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 99' ' ' TYR . 28.6 m -63.95 -14.55 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.995 -0.548 . . . . 1.25 111.787 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -58.27 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 2.24 111.12 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.0 m -53.75 -36.74 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.71 111.379 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.16 -38.21 85.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.5 110.852 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -61.41 -58.33 8.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.73 110.853 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.83 -18.03 58.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.938 -0.574 . . . . 0.67 111.437 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.602 HD22 HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -65.83 -59.96 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 1.23 111.028 -179.831 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.49 ' CE2' HD21 ' A' ' 24' ' ' LEU . 26.2 m-85 -57.86 -27.27 63.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.233 -0.44 . . . . 0.46 111.181 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -53.1 -35.68 59.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 1.59 110.934 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -40.71 84.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 2.31 110.892 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -93.33 -0.44 56.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.57 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 56.46 46.01 21.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 2.87 110.908 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 80.0 mt -89.3 76.47 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.31 110.917 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -33.87 60.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 1.84 111.022 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.91 -50.41 66.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 1.98 111.097 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.12 -37.67 61.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.42 111.381 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.0 mtt -59.91 -45.28 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 1.29 111.131 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -58.25 -20.76 44.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 3.39 111.637 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 92' ' ' ALA . 0.6 OUTLIER -76.88 -36.24 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.567 -0.288 . . . . 0.79 111.196 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.92 64.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 1.29 111.411 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -103.05 -49.12 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 2.85 110.648 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.82 10.35 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 1.64 111.318 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.504 ' O ' HG21 ' A' ' 77' ' ' VAL . 92.1 m-85 -113.99 -6.55 13.15 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.203 0.445 . . . . 1.13 112.203 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.834 0.349 . . . . 1.37 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.423 ' HB2' HD13 ' A' ' 15' ' ' LEU . 4.7 ptm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.654 0.264 . . . . 1.23 111.185 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.35 153.02 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.62 110.654 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -53.7 -27.85 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 0.65 110.632 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -33.73 64.87 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.056 -0.52 . . . . 2.82 110.716 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 11' ' ' MET . 0.4 OUTLIER -67.89 -40.86 83.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.449 . . . . 1.51 110.493 179.625 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.06 109.58 1.55 Allowed Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 115.969 -0.56 . . . . 0.93 110.75 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.22 132.55 52.61 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.348 2.032 . . . . 0.48 112.266 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.9 tp -60.41 -47.86 95.31 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.036 -0.529 . . . . 1.64 111.59 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 72.8 Cg_exo -50.06 -30.98 26.45 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.123 1.882 . . . . 0.59 112.47 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 t -86.14 -36.9 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.65 111.03 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.641 HH22 HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.78 -36.58 79.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 3.62 110.805 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.99 -17.81 19.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.037 -0.529 . . . . 0.48 111.564 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.34 -64.05 0.93 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.459 -0.337 . . . . 2.14 111.131 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.641 HD23 HH22 ' A' ' 21' ' ' ARG . 47.8 tp -70.45 -29.04 65.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 1.51 111.087 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.5 m -60.7 -46.2 91.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.393 . . . . 0.55 110.441 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.32 93.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.538 . . . . 0.52 110.835 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -59.12 -55.5 34.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.57 -0.741 . . . . 0.72 111.162 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.588 HD11 HD13 ' A' ' 89' ' ' LEU . 4.6 mm? -60.48 -46.37 90.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 1.09 111.254 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.04 -18.99 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 1.2 111.319 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.05 86.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.68 110.933 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.74 0.16 11.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 1.16 110.968 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.05 46.58 16.07 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.169 -0.469 . . . . 2.03 110.711 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.77 22.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.869 -0.605 . . . . 0.54 111.275 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.688 ' HA ' HD12 ' A' ' 37' ' ' LEU . 63.4 p-90 -58.23 -30.09 66.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.5 110.959 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.27 -28.27 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 2.32 110.882 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -72.28 -38.06 68.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 3.29 110.893 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.7 mt -60.93 -58.49 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.35 -0.386 . . . . 0.65 110.955 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.8 -58.1 6.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.41 111.617 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -60.93 -32.94 72.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.51 111.91 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.06 -34.39 65.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.768 0.318 . . . . 0.47 111.32 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.1 m -102.64 3.79 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.303 -0.408 . . . . 0.5 110.847 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.76 93.17 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.949 -0.569 . . . . 2.14 110.981 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -120.13 161.86 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 1.03 110.93 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 62.4 m-85 -69.47 136.71 88.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.41 110.465 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 47.7 Cg_exo -57.78 -18.05 32.29 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.472 2.114 . . . . 1.32 112.206 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.83 -34.66 62.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.504 . . . . 2.01 110.547 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.77 -38.82 45.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 1.94 110.468 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.526 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.7 t -63.76 -42.36 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 0.88 110.643 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -41.08 94.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.546 . . . . 2.44 110.575 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.03 -43.31 95.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.831 -0.622 . . . . 2.12 110.858 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 48' ' ' VAL . 20.6 mt -62.97 -49.64 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.47 111.246 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 t -53.76 -38.28 64.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 1.42 111.178 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -59.19 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.93 111.212 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.86 -31.2 70.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 2.48 111.199 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.5 ttmt -59.94 -40.74 89.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 1.77 110.952 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 3.02 111.289 -179.79 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.768 0.318 . . . . 1.51 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.543 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.31 -36.96 81.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.39 111.197 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.8 m -65.32 -40.47 93.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.66 110.769 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.47 -52.02 66.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 1.79 110.611 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.46 ' HB3' HG23 ' A' ' 51' ' ' ILE . 12.5 tp10 -65.21 -37.4 87.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 1.72 110.701 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.98 -46.59 84.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.066 -0.515 . . . . 0.5 110.662 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.91 -30.78 71.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.65 110.867 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -62.71 -64.04 1.04 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 1.48 110.941 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.76 -39.78 80.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.52 111.316 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -71.45 -18.44 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.63 110.673 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.24 56.21 0.49 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.946 -0.645 . . . . 1.08 112.499 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.47 -37.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 1.54 112.469 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.41 -26.95 26.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 1.99 110.787 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -111.9 -25.57 9.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 1.53 110.767 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 57.25 47.74 16.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 3.1 111.125 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -77.07 150.36 35.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 2.8 110.474 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.1 p -88.08 171.7 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.364 . . . . 1.17 111.205 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.4 m -63.03 -20.67 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 1.25 111.116 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.4 -54.47 43.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 2.24 110.66 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 m -55.6 -35.34 65.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.71 111.001 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 58.5 tp -61.13 -35.21 76.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.5 110.728 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -62.3 -52.77 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.73 110.87 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.01 -17.91 58.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.988 -0.551 . . . . 0.67 111.687 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 51.3 tp -65.75 -64.2 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.425 -0.352 . . . . 1.23 111.0 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.46 ' HB3' HD12 ' A' ' 89' ' ' LEU . 32.2 m-85 -58.57 -26.96 64.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.46 111.218 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -53.96 -25.35 20.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.244 -0.435 . . . . 1.59 111.112 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -58.44 -47.33 84.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 2.31 111.218 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -93.23 2.32 56.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.378 . . . . 1.57 111.107 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? 56.36 52.87 9.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 2.87 110.999 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 28' ' ' LEU . 2.6 mt -88.92 80.69 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.31 110.813 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -54.13 -29.54 45.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 1.84 111.138 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -72.58 -55.68 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 1.98 111.067 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.98 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.42 111.319 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.9 mtp -58.93 -56.0 27.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 1.29 111.003 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -57.46 -26.03 60.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.936 -0.574 . . . . 3.39 111.301 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.489 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.0 -34.61 78.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.43 -0.35 . . . . 0.79 111.335 -179.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.53 30.73 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 1.29 111.633 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.45 -18.48 29.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.348 . . . . 2.85 110.677 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -67.3 -5.66 15.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 1.64 111.118 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.23 -38.74 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 1.13 110.848 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 1.37 110.773 179.655 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.668 0.27 . . . . 1.23 110.859 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.65 154.85 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.62 111.175 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.565 HG21 ' HA3' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -55.1 -29.44 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.67 . . . . 0.65 110.927 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -55.64 -31.3 62.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.353 -0.385 . . . . 2.82 110.806 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.93 -38.38 61.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 1.51 110.741 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.76 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -52.33 113.13 3.98 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.083 -0.508 . . . . 0.93 110.878 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HB2' HG23 ' A' ' 20' ' ' VAL . 51.1 Cg_exo -54.17 124.15 15.29 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.369 2.046 . . . . 0.48 112.204 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.613 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -54.07 -49.73 88.28 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.117 -0.492 . . . . 1.64 111.758 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.9 Cg_endo -50.98 -27.77 22.15 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.329 2.019 . . . . 0.59 112.586 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.51 HG23 ' HB2' ' A' ' 17' ' ' PRO . 27.6 t -85.59 -37.54 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.65 110.944 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.76 ' HG2' HD12 ' A' ' 16' ' ' LEU . 1.7 mmp_? -61.13 -40.8 95.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 3.62 110.951 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -20.75 25.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.999 -0.546 . . . . 0.48 111.778 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -55.83 11.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.509 -0.314 . . . . 2.14 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 95' ' ' LEU . 42.8 tp -70.15 -34.41 72.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.375 . . . . 1.51 110.509 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.8 m -59.87 -38.38 82.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.55 110.282 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.96 95.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.52 110.608 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -60.86 -50.23 74.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.762 -0.653 . . . . 0.72 110.694 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -60.0 -22.23 62.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.799 -0.637 . . . . 1.09 111.121 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -72.63 -35.62 67.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 1.2 110.965 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.58 76.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.68 111.043 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mp -72.0 -10.96 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.16 111.086 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 54.46 34.88 21.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.139 -0.482 . . . . 2.03 110.81 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.415 ' HA ' HE21 ' A' ' 36' ' ' GLN . 21.3 m -108.04 26.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.54 111.245 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.68 ' HA ' HD12 ' A' ' 37' ' ' LEU . 31.5 p-90 -66.81 -38.14 85.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.5 110.945 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -29.12 70.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 2.32 111.035 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 33' ' ' VAL . 3.1 mp0 -71.89 -37.74 70.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 3.29 110.92 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.0 mt -61.42 -56.77 16.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.387 -0.369 . . . . 0.65 110.606 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.9 -58.46 5.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.982 -0.554 . . . . 0.41 111.531 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -60.32 -36.1 77.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.51 111.573 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.01 -34.9 66.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.848 0.356 . . . . 0.47 111.187 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.61 5.61 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.5 110.868 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 tptt 57.74 96.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.036 -0.529 . . . . 2.14 110.997 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mt -119.72 162.68 18.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 1.03 110.868 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 78.4 m-85 -69.88 135.2 87.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 1.41 110.685 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 36.1 Cg_exo -59.42 -21.05 59.45 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.503 2.135 . . . . 1.32 112.368 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -77.96 -26.0 48.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 2.01 110.636 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -78.04 -30.78 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 1.94 110.584 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.435 ' HA ' HD12 ' A' ' 51' ' ' ILE . 21.5 t -63.39 -41.07 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 0.88 110.668 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -40.82 94.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 2.44 110.795 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.99 -35.54 73.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 2.12 110.945 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 48' ' ' VAL . 23.8 mt -74.12 -56.28 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.47 111.339 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -53.0 -32.35 45.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 1.42 111.078 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 t -59.77 -68.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.93 111.153 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -62.75 -15.3 52.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 2.48 111.46 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.02 -58.27 9.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.475 -0.33 . . . . 1.77 111.337 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.35 -0.386 . . . . 3.02 111.405 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 1.51 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.55 -38.06 86.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.39 111.454 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.4 m -64.69 -32.08 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.66 111.337 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -60.84 -58.13 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 1.79 111.199 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -64.49 -37.12 86.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.72 110.767 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -57.85 -41.54 82.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.5 110.778 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -42.55 94.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.65 111.308 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -62.74 -42.61 99.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.333 -0.394 . . . . 1.48 111.541 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.0 mt -72.43 -51.07 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.52 111.72 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -70.75 -16.25 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.63 110.932 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.565 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -132.08 57.81 0.71 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 1.08 112.452 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.58 -45.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.737 -0.744 . . . . 1.54 112.587 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -102.19 -31.29 10.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.8 0.333 . . . . 1.99 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -95.07 -22.7 17.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 1.53 110.807 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t30 65.43 143.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.989 -0.551 . . . . 3.1 111.151 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.409 ' CE1' HG21 ' A' ' 79' ' ' THR . 0.2 OUTLIER -161.68 -156.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 2.8 110.853 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.548 ' HB ' ' HG2' ' A' ' 78' ' ' GLN . 0.6 OUTLIER -147.88 158.33 43.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.9 0.381 . . . . 1.17 111.198 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.492 HG11 HD23 ' A' ' 16' ' ' LEU . 19.2 m -64.85 -31.87 55.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.03 -0.532 . . . . 1.25 111.96 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.548 ' HG2' ' HB ' ' A' ' 76' ' ' THR . 7.2 pt20 -54.82 -49.26 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 2.24 111.049 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.409 HG21 ' CE1' ' A' ' 75' ' ' HIS . 8.1 m -55.92 -34.04 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.71 111.568 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.98 -39.23 88.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.5 111.143 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.36 -56.92 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.73 110.952 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.582 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -61.99 -17.43 57.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.67 111.57 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.8 tp -67.63 -54.85 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.41 -0.359 . . . . 1.23 111.509 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -57.62 -18.1 18.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.46 111.851 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.582 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mmtm -53.53 -41.67 66.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 1.59 110.988 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.46 -36.09 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 2.31 111.244 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 mt -92.37 -7.3 48.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 1.57 111.064 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.64 31.93 20.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 2.87 111.215 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 73.5 mt -89.43 70.47 8.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 1.31 110.715 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -54.34 -35.22 62.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 1.84 111.294 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.477 ' HA ' ' HG3' ' A' ' 94' ' ' ARG . 14.1 p-10 -58.8 -47.28 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 1.98 111.227 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.6 -43.34 72.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.442 . . . . 0.42 111.349 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.8 mtt -59.42 -33.7 71.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 1.29 111.367 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.477 ' HG3' ' HA ' ' A' ' 91' ' ' ASN . 3.5 mmm180 -58.63 -20.65 49.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 3.39 111.559 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.56 ' HB2' HD13 ' A' ' 24' ' ' LEU . 5.6 mp -85.11 -21.74 29.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.49 -0.323 . . . . 0.79 111.292 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.98 64.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 1.29 111.235 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 94' ' ' ARG . 4.0 mttp -104.58 -52.45 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 2.85 111.002 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.92 6.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.64 111.547 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.412 ' H ' ' C ' ' A' ' 97' ' ' LYS . 39.9 m-85 -108.73 -18.92 13.59 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.708 -0.224 . . . . 1.13 111.364 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 1.37 111.372 -179.723 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.739 0.304 . . . . 1.23 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.81 142.15 15.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.225 0.536 . . . . 0.62 111.351 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -57.53 -33.38 44.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.272 -0.876 . . . . 0.65 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -31.93 62.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.411 . . . . 2.82 110.9 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.44 -33.09 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 1.51 110.915 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 110.63 1.86 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.93 111.033 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.89 121.18 7.69 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.483 2.122 . . . . 0.48 112.46 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.604 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.9 tp -58.21 -48.75 96.46 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.026 -0.534 . . . . 1.64 111.792 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.5 Cg_endo -53.86 -24.68 32.19 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.102 1.868 . . . . 0.59 112.444 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -86.21 -42.55 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.403 -0.362 . . . . 0.65 110.706 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' NH1' HD22 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -60.34 -38.16 82.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 3.62 110.887 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.42 -22.43 31.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.48 111.743 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -67.41 -35.28 78.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 2.14 110.789 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.624 HD12 ' HB3' ' A' ' 95' ' ' LEU . 8.0 tt -90.6 -34.87 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 1.51 110.889 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.1 m -59.26 -40.94 87.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.55 110.445 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.07 97.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.961 -0.563 . . . . 0.52 110.85 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -62.4 -56.87 14.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.8 -0.636 . . . . 0.72 111.17 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.69 -42.74 89.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.977 -0.556 . . . . 1.09 111.223 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.08 -27.61 69.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 1.2 111.073 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.92 -36.72 80.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.68 110.913 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mp -72.26 -0.06 11.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 1.16 110.919 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 56.15 56.55 5.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.165 -0.471 . . . . 2.03 110.8 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.39 23.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.541 . . . . 0.54 111.221 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -58.81 -35.2 72.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.5 110.996 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -28.29 69.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 2.32 110.829 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.24 -32.12 66.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.015 -0.539 . . . . 3.29 110.427 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.698 HD23 HD21 ' A' ' 83' ' ' LEU . 1.4 mt -67.66 -56.68 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 0.65 110.348 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.33 -56.37 15.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.41 111.291 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.4 m -60.91 -32.63 72.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.51 111.667 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -55.57 -32.97 63.46 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.575 -0.284 . . . . 0.47 111.379 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' HG ' ' A' ' 43' ' ' LEU . 3.7 m -104.82 5.96 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.441 -0.345 . . . . 0.5 111.222 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt 57.14 94.16 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.079 -0.51 . . . . 2.14 111.11 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.547 HD11 ' HE1' ' A' ' 65' ' ' PHE . 81.3 mt -119.88 153.26 36.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 1.03 110.971 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' VAL . 94.2 m-85 -69.27 131.8 90.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.41 110.625 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.43 -13.28 16.27 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.456 2.104 . . . . 1.32 112.402 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -84.79 -36.35 21.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 2.01 110.829 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -37.63 41.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 1.94 110.762 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 44' ' ' TYR . 25.8 t -64.42 -23.4 33.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 0.88 110.967 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -30.5 68.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 2.44 110.811 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -59.82 -42.01 92.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 2.12 111.077 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.8 mt -70.29 -51.99 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.47 111.312 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 p -53.34 -24.67 12.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 1.42 111.181 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 56' ' ' GLN . 7.6 t -57.4 -67.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.93 110.704 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -62.3 -32.05 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 2.48 110.749 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -59.97 -21.43 61.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 1.77 111.2 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.335 -0.393 . . . . 3.02 111.531 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.828 0.347 . . . . 1.51 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.83 83.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.39 111.483 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 m -64.94 -37.06 86.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.327 -0.397 . . . . 0.66 111.163 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.41 -54.7 42.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 1.79 110.769 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.98 -37.68 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 1.72 110.582 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' HE1' HD11 ' A' ' 43' ' ' LEU . 21.5 t80 -56.32 -45.0 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.5 110.719 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -42.06 96.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.65 111.083 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -63.13 -27.63 69.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 1.48 111.73 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.06 -32.44 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.814 0.301 . . . . 0.52 111.814 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -72.77 -20.86 61.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.474 -0.33 . . . . 0.63 111.301 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.04 18.88 5.26 Favored Glycine 0 N--CA 1.454 -0.128 0 C-N-CA 120.686 -0.769 . . . . 1.08 112.57 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.57 -3.88 18.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 1.54 112.599 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -152.12 3.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 1.99 111.043 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -120.98 -29.33 4.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.428 . . . . 1.53 111.11 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.5 120.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.485 . . . . 3.1 110.843 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.23 -153.71 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 2.8 110.997 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.1 p -143.63 158.85 43.36 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.84 0.352 . . . . 1.17 111.154 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 99' ' ' TYR . 3.3 m -64.37 -14.11 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 1.25 111.743 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -54.97 40.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 2.24 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.4 m -55.37 -34.89 64.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.71 110.992 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.451 HD22 ' NH1' ' A' ' 21' ' ' ARG . 37.5 tp -60.84 -35.04 75.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.5 110.791 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -62.1 -60.46 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.73 111.056 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.65 -17.99 57.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.075 -0.512 . . . . 0.67 111.563 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.698 HD21 HD23 ' A' ' 37' ' ' LEU . 2.1 tp -65.19 -60.97 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 1.23 111.046 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -59.0 -32.13 69.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.456 -0.338 . . . . 0.46 111.025 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -26.67 28.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.191 -0.459 . . . . 1.59 111.496 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -57.99 -48.48 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 2.31 111.076 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.44 3.51 55.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 1.57 111.13 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt 56.51 53.29 8.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 2.87 111.108 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.76 79.29 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 1.31 110.672 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -34.3 57.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.937 -0.574 . . . . 1.84 111.373 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -64.31 -58.96 5.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 1.98 111.063 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.59 -33.36 60.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.42 111.33 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.3 mmm -59.7 -59.08 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.29 111.831 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -56.22 -24.66 43.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.587 -0.279 . . . . 3.39 111.577 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -67.26 -35.81 80.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 0.79 110.833 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.2 pt -121.9 40.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.309 -0.405 . . . . 1.29 111.062 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -99.99 54.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 2.85 111.117 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -172.91 8.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 1.64 111.775 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.508 ' O ' HG21 ' A' ' 77' ' ' VAL . 22.9 m-85 -115.07 -0.91 13.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.808 0.337 . . . . 1.13 110.918 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 1.37 111.103 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 77' ' ' VAL . 3.3 ptm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.653 0.263 . . . . 1.23 110.823 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.528 ' HA ' HG22 ' A' ' 76' ' ' THR . . . -51.55 157.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.62 111.15 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -56.97 -27.83 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.65 110.685 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.24 -32.64 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 2.82 110.473 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.73 -37.25 85.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.948 -0.569 . . . . 1.51 110.496 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.57 108.61 1.13 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.084 -0.507 . . . . 0.93 110.697 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.0 115.14 2.22 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.344 2.03 . . . . 0.48 112.204 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.6 tp -54.55 -49.81 88.95 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.201 -0.454 . . . . 1.64 111.761 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.1 Cg_endo -51.75 -29.19 32.93 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.144 1.896 . . . . 0.59 111.973 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -86.21 -34.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.052 -0.522 . . . . 0.65 110.465 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.614 HH12 HG21 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -60.5 -34.39 74.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 3.62 110.608 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -25.35 48.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.672 . . . . 0.48 111.521 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.63 -47.82 68.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.407 -0.36 . . . . 2.14 110.637 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD23 HH22 ' A' ' 21' ' ' ARG . 41.6 tp -75.12 -26.05 58.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 1.51 110.65 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.0 m -61.77 -42.62 99.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.55 110.361 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.68 88.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.578 . . . . 0.52 110.658 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -59.65 -54.99 39.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.72 110.535 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.719 HD22 HD11 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -59.82 -29.36 68.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.963 -0.562 . . . . 1.09 110.983 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -37.42 87.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 1.2 110.845 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.93 78.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.68 110.971 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -15.51 62.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 1.16 110.848 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 54.83 35.08 23.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 2.03 111.057 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -107.43 23.66 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.54 111.144 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.642 ' HA ' HD12 ' A' ' 37' ' ' LEU . 52.0 p-90 -63.89 -36.43 83.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.5 110.76 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -63.26 -32.27 73.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 2.32 110.829 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -72.11 -32.25 66.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 3.29 111.076 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.719 HD11 HD22 ' A' ' 28' ' ' LEU . 34.1 mt -61.33 -52.44 64.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.65 110.402 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.9 -60.93 2.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.41 111.225 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -32.35 71.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.51 111.497 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.3 67.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.436 -0.347 . . . . 0.47 111.284 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.462 HG11 ' CZ2' ' A' ' 69' ' ' TRP . 1.5 m -103.66 6.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.384 -0.371 . . . . 0.5 111.051 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 101.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.111 -0.495 . . . . 2.14 111.12 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt -136.46 161.33 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 1.03 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 56.7 m-85 -69.76 139.97 88.87 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 1.41 110.602 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 39.7 Cg_exo -58.78 -20.04 49.64 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.374 2.049 . . . . 1.32 111.952 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.96 -29.29 67.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.494 . . . . 2.01 110.454 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -77.87 -38.81 45.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 1.94 110.594 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.624 ' HA ' HD12 ' A' ' 51' ' ' ILE . 10.2 t -63.98 -43.75 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.88 110.792 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -36.2 78.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 2.44 110.684 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -42.18 94.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 2.12 110.833 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 48' ' ' VAL . 8.2 mt -66.4 -53.55 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.47 111.247 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -29.11 40.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 1.42 111.359 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -68.82 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.93 111.166 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.01 -32.21 72.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 2.48 110.986 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -58.79 -30.44 67.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 1.77 110.837 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 3.02 111.104 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.803 0.335 . . . . 1.51 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.93 -33.1 72.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.39 111.141 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 m -64.8 -38.0 89.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.66 110.872 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -48.1 83.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 1.79 110.854 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.6 ' HB2' HG23 ' A' ' 51' ' ' ILE . 10.5 mm-40 -65.16 -42.02 94.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 1.72 110.666 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -57.61 -47.93 80.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.5 110.695 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.457 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 1.9 mm? -64.64 -28.89 69.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.65 110.999 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.96 -47.96 78.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 1.48 111.627 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.1 mt -79.55 -46.46 22.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.394 -0.366 . . . . 0.52 111.738 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.462 ' CZ2' HG11 ' A' ' 41' ' ' VAL . 27.0 t90 -70.53 -19.73 62.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.63 111.068 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -120.66 94.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.69 -0.767 . . . . 1.08 112.524 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.12 -10.89 3.87 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.884 -0.674 . . . . 1.54 112.457 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -123.77 -18.45 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 1.99 110.816 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -106.75 -9.47 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 1.53 111.092 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 55.63 50.54 14.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 3.1 110.919 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.603 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -77.47 -160.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 2.8 110.959 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 12' ' ' ALA . 28.8 p -147.01 159.56 43.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.321 -0.4 . . . . 1.17 110.983 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 11' ' ' MET . 19.4 t -63.43 -27.94 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 1.25 111.171 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.56 -50.73 71.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 2.24 111.039 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.1 m -55.27 -34.28 63.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.71 111.366 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.48 -43.6 98.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.5 111.109 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.483 ' HB2' HG11 ' A' ' 100' ' ' VAL . 12.9 t80 -60.29 -59.24 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.73 111.118 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.48 -19.95 62.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.67 111.689 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 tp -66.35 -55.59 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 1.23 110.993 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -57.6 -28.77 63.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.46 111.157 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -37.67 63.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.277 -0.42 . . . . 1.59 111.097 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.53 -40.4 82.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 2.31 111.114 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.33 -4.42 48.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 1.57 111.058 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.87 54.43 8.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.166 -0.47 . . . . 2.87 111.041 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.5 mt -89.65 82.43 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 1.31 111.031 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -54.96 -24.31 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 1.84 111.011 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -51.03 8.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 1.98 111.1 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.57 -40.85 65.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 0.42 110.993 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.8 mtm -59.56 -61.94 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.29 110.764 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 94' ' ' ARG . 6.3 ptp180 -59.46 -13.67 9.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 3.39 111.2 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.432 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -78.24 -32.74 49.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 0.79 110.9 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.614 HG21 HH12 ' A' ' 21' ' ' ARG . 0.7 OUTLIER -126.31 48.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.376 -0.375 . . . . 1.29 111.305 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 7.4 pttp -98.79 75.69 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 2.85 110.839 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -174.56 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 1.64 111.191 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -102.01 0.51 35.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.771 0.32 . . . . 1.13 110.836 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.483 HG11 ' HB2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 1.37 110.984 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.0 ptt? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.733 0.301 . . . . 1.23 110.938 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.27 149.15 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.62 111.177 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' A' ' 75' ' ' HIS . 0.4 OUTLIER -60.54 -23.64 29.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.976 -0.556 . . . . 0.65 110.842 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -14.57 4.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 2.82 110.865 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.05 -30.24 13.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.44 . . . . 1.51 110.189 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.89 106.72 0.69 Allowed Pre-proline 0 C--O 1.231 0.113 0 CA-C-N 115.997 -0.547 . . . . 0.93 110.278 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.92 115.77 3.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.543 2.162 . . . . 0.48 112.484 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.615 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.1 mt -53.95 -49.8 87.6 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.794 -0.639 . . . . 1.64 111.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 8.0 Cg_endo -49.78 -30.13 22.17 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.231 1.954 . . . . 0.59 112.277 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.9 t -86.47 -36.36 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.65 110.698 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.512 HH12 HG21 ' A' ' 96' ' ' ILE . 2.9 tpt180 -60.14 -27.13 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.929 -0.578 . . . . 3.62 110.865 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.14 -24.32 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 0.48 111.308 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.56 -44.87 77.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 2.14 111.357 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.932 HD23 HD13 ' A' ' 95' ' ' LEU . 2.5 tm? -83.47 -26.65 30.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.436 -0.347 . . . . 1.51 111.186 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 m -58.82 -45.82 89.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.954 0.407 . . . . 0.55 110.588 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.0 99.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.52 110.821 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.53 ' HB3' HD22 ' A' ' 24' ' ' LEU . 77.5 t60 -58.4 -56.74 18.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.443 -0.799 . . . . 0.72 111.127 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 37' ' ' LEU . 2.7 mm? -60.03 -34.62 73.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 1.09 110.993 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -64.31 -35.19 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.51 . . . . 1.2 110.859 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.61 76.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.68 110.999 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.57 -12.12 61.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 1.16 110.752 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t0 54.73 43.26 30.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.057 -0.52 . . . . 2.03 110.925 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -118.4 22.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.54 111.265 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.804 ' HA ' HD12 ' A' ' 37' ' ' LEU . 26.7 p-90 -59.84 -37.35 78.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.5 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -35.79 81.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 2.32 111.002 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -72.3 -8.98 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 3.29 111.036 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 34' ' ' TRP . 11.7 mt -92.98 -58.65 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 0.65 109.996 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -55.21 24.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.574 . . . . 0.41 110.927 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 m -61.19 -33.4 73.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.971 -0.559 . . . . 0.51 111.503 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -55.28 -34.95 64.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.406 -0.361 . . . . 0.47 111.383 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.4 m -103.2 4.97 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.5 110.949 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.93 103.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.867 -0.606 . . . . 2.14 111.325 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 mt -130.97 164.5 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.03 110.791 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.418 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 18.5 m-85 -69.06 158.06 87.54 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 1.41 110.687 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 44' ' ' TYR . 82.8 Cg_endo -72.77 -31.24 10.65 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.454 2.103 . . . . 1.32 111.795 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 50' ' ' GLN . 10.4 m-20 -63.63 -28.16 69.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.878 -0.601 . . . . 2.01 110.35 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -78.22 -43.92 27.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 1.94 110.558 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.481 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.8 t -63.91 -49.84 80.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.88 110.465 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.64 -33.79 73.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 2.44 110.318 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -58.02 -42.95 86.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.904 -0.589 . . . . 2.12 110.734 179.513 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 48' ' ' VAL . 6.7 mt -68.7 -43.37 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.47 110.867 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.5 t -54.93 -25.44 29.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 1.42 111.298 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -57.51 -69.04 0.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.328 -0.397 . . . . 0.93 110.952 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.26 -39.17 93.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 2.48 110.896 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -22.99 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 1.77 111.119 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 3.02 111.598 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.82 0.343 . . . . 1.51 110.951 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.38 80.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.39 111.295 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -64.86 -35.9 82.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.66 111.034 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -52.12 66.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 1.79 110.517 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -66.57 -35.29 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.399 . . . . 1.72 110.39 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -57.94 -49.97 74.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 0.5 110.901 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.38 -32.96 74.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.65 110.959 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.57 -17.67 63.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 1.48 111.159 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.04 -50.53 9.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.4 -0.364 . . . . 0.52 111.517 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -71.58 -12.36 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.63 110.958 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.22 98.33 0.66 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.762 -0.732 . . . . 1.08 112.653 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.29 -22.5 3.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 1.54 112.769 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -106.45 -32.76 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.708 0.29 . . . . 1.99 111.121 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -99.12 -17.92 17.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.53 111.154 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 m120 56.34 53.84 8.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.03 0.443 . . . . 3.1 110.613 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.495 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -76.59 -163.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 2.8 110.873 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.5 p -141.71 162.95 34.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.338 . . . . 1.17 111.006 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.61 -13.81 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 1.25 111.283 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.15 -63.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.411 . . . . 2.24 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.8 m -54.22 -30.9 51.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 0.71 111.355 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.472 HD21 HH22 ' A' ' 21' ' ' ARG . 59.0 tp -60.57 -47.49 85.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.5 110.83 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -61.98 -53.75 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.73 110.918 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.43 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -61.33 -22.67 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.67 111.637 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.3 tp -67.03 -50.13 62.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 1.23 111.018 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -58.98 -22.98 61.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.46 111.558 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.43 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -54.45 -21.41 9.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.509 -0.314 . . . . 1.59 111.389 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -58.77 -61.71 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 2.31 111.223 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.66 2.79 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 1.57 110.887 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm 52.97 66.67 1.16 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 2.87 110.105 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 89' ' ' LEU . 4.6 mp -88.19 89.21 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 1.31 110.899 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -53.48 -48.45 68.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 1.84 111.583 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -59.66 -55.87 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 1.98 111.38 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.75 -38.03 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 0.42 111.387 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 mtm -60.02 -64.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 1.29 111.441 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.59 ' HA ' ' HG3' ' A' ' 97' ' ' LYS . 6.2 ptm180 -58.26 -17.99 23.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.271 -0.422 . . . . 3.39 111.673 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.932 HD13 HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -68.72 -32.14 71.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.553 -0.294 . . . . 0.79 111.214 -179.651 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.512 HG21 HH12 ' A' ' 21' ' ' ARG . 1.3 pp -127.69 32.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 1.29 111.437 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HG3' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -66.66 -51.68 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.385 . . . . 2.85 110.967 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.99 13.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 1.64 111.816 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.444 ' H ' ' C ' ' A' ' 97' ' ' LYS . 43.4 m-85 -113.24 -13.37 12.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.587 0.232 . . . . 1.13 111.428 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 97' ' ' LYS . 16.0 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 1.37 111.174 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.852 0.358 . . . . 1.23 111.066 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.32 164.39 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.068 -0.514 . . . . 0.62 111.198 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -24.07 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.788 -0.642 . . . . 0.65 110.624 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -31.22 62.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.176 -0.466 . . . . 2.82 110.216 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.06 -39.3 50.35 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.839 -0.619 . . . . 1.51 109.587 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.97 106.94 0.73 Allowed Pre-proline 0 C--O 1.231 0.103 0 CA-C-N 115.617 -0.72 . . . . 0.93 110.302 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.92 102.37 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.454 2.103 . . . . 0.48 112.198 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.404 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -54.09 -48.38 94.31 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 115.863 -0.608 . . . . 1.64 111.919 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 84.9 Cg_exo -46.82 -33.3 13.8 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.225 1.95 . . . . 0.59 112.424 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 t -86.79 -42.75 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.65 110.672 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -60.27 -20.34 58.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 3.62 110.563 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.89 -23.38 44.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.617 -0.72 . . . . 0.48 111.424 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -67.22 -34.35 77.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 2.14 110.381 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD13 HD22 ' A' ' 95' ' ' LEU . 42.9 tp -79.37 -34.22 42.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.038 -0.528 . . . . 1.51 110.571 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.5 m -60.42 -48.39 81.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.032 0.444 . . . . 0.55 110.173 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.12 -38.56 86.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.806 -0.634 . . . . 0.52 110.493 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.17 -54.15 50.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.495 -0.775 . . . . 0.72 110.726 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.8 -31.0 69.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.839 -0.618 . . . . 1.09 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.41 -28.59 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 1.2 110.991 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.39 69.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.68 111.101 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -14.77 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 1.16 111.041 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 56.59 66.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 2.03 111.025 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 m -135.42 25.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.54 111.023 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.571 ' HA ' HD12 ' A' ' 37' ' ' LEU . 27.0 p-90 -60.58 -37.67 82.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.04 -0.527 . . . . 0.5 110.952 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -31.53 72.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 2.32 110.765 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -31.67 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 3.29 110.687 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.7 mt -62.95 -58.74 6.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.65 110.478 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 -57.12 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.41 111.462 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -60.52 -32.12 71.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.51 111.882 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.08 -34.68 63.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.76 0.314 . . . . 0.47 111.051 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.612 HG13 HD13 ' A' ' 83' ' ' LEU . 2.9 m -105.42 2.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.5 110.688 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.75 97.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.796 -0.638 . . . . 2.14 111.209 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 mt -125.16 167.63 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 1.03 111.154 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 48' ' ' VAL . 34.8 m-85 -69.74 160.91 77.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 1.41 110.618 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -72.03 -37.05 5.18 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.432 2.088 . . . . 1.32 111.982 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.77 -24.87 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.943 -0.571 . . . . 2.01 110.623 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -79.3 -49.98 11.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 1.94 110.723 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.624 ' HA ' HD12 ' A' ' 51' ' ' ILE . 3.0 t -64.12 -48.94 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.88 110.836 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.63 -37.61 79.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 2.44 110.504 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.93 -35.15 68.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.064 -0.516 . . . . 2.12 110.653 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 48' ' ' VAL . 15.5 mt -71.38 -37.91 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.47 110.97 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 t -53.73 -39.05 64.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 1.42 111.15 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.0 m -59.74 -62.89 1.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.93 110.859 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -62.48 -19.14 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.033 -0.53 . . . . 2.48 111.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 19.6 ttpp -61.81 -61.75 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 1.77 111.23 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.178 -0.464 . . . . 3.02 111.387 -179.645 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.869 0.366 . . . . 1.51 110.901 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB2' ' HD2' ' A' ' 55' ' ' LYS . . . -61.04 -51.02 70.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.39 111.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -32.95 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.66 110.842 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -55.61 31.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 1.79 110.669 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.599 ' HB3' HG23 ' A' ' 51' ' ' ILE . 19.9 tp10 -64.81 -35.58 81.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 1.72 110.468 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.04 -48.22 80.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.834 -0.621 . . . . 0.5 110.846 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.52 -29.5 70.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.65 110.983 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -63.35 -17.61 62.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 1.48 111.254 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.9 mt -108.97 -52.4 6.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.52 111.536 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -70.7 -40.89 72.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.453 -0.34 . . . . 0.63 110.831 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.64 71.77 1.1 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.884 -0.675 . . . . 1.08 112.312 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 174.62 -62.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.84 -0.695 . . . . 1.54 112.276 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -70.74 -20.39 62.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 1.99 110.729 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -95.6 -19.67 19.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.006 -0.543 . . . . 1.53 110.854 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 57.16 38.16 28.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 3.1 110.767 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.36 150.06 35.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 2.8 110.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.9 p -89.35 168.16 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 1.17 111.065 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.77 -20.4 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 1.25 111.07 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -59.48 -57.56 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 2.24 110.99 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 m -54.93 -33.96 62.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.71 111.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.8 tp -60.42 -39.46 87.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.5 110.897 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.06 -50.36 72.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.73 110.868 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.65 -25.55 67.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.67 111.478 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.612 HD13 HG13 ' A' ' 41' ' ' VAL . 22.0 tp -65.66 -54.07 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 1.23 111.05 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -58.32 -28.96 65.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.36 . . . . 0.46 111.173 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -38.81 63.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 1.59 110.705 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -60.02 -38.86 83.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 2.31 110.849 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.413 ' C ' ' HG2' ' A' ' 88' ' ' LYS . 3.6 mm? -92.52 14.96 15.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.123 -0.489 . . . . 1.57 110.936 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 87' ' ' LEU . 2.3 ptpt 39.32 45.3 1.17 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.987 -0.551 . . . . 2.87 111.643 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.48 HD13 HD11 ' A' ' 28' ' ' LEU . 43.1 mt -90.07 70.94 7.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.111 -0.495 . . . . 1.31 110.855 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.42 -33.53 54.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 1.84 111.154 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -55.07 12.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 1.98 111.174 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.42 35.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.42 111.5 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.2 mtt -59.71 -61.16 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 1.29 111.264 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.564 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 1.4 ptm180 -58.31 -18.26 25.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.28 -0.418 . . . . 3.39 111.393 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.561 HD22 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -71.15 -30.85 66.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.79 111.236 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.417 HG23 HD22 ' A' ' 24' ' ' LEU . 1.2 pt -116.69 7.5 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 1.29 111.486 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.564 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -70.44 -20.55 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 2.85 110.828 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -5.11 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 1.64 111.456 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -107.81 -41.13 5.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.553 -0.294 . . . . 1.13 111.233 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 1.37 110.858 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.349 . . . . 1.23 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.58 137.71 24.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.62 111.231 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.559 ' HA ' HD23 ' A' ' 16' ' ' LEU . 11.8 mt -53.99 -27.41 16.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.744 -0.662 . . . . 0.65 110.965 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HD2' ' ND2' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -55.56 -30.42 60.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.338 -0.392 . . . . 2.82 110.872 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.83 -28.59 33.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 1.51 111.119 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 13' ' ' ILE . 3.5 mm? -52.66 117.72 11.5 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.279 -0.419 . . . . 0.93 110.714 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.55 122.2 10.86 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.563 2.175 . . . . 0.48 112.743 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.631 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -74.48 -49.03 5.2 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.889 -0.596 . . . . 1.64 111.65 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.3 Cg_endo -53.34 -26.62 35.69 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.261 1.974 . . . . 0.59 112.693 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.0 t -85.85 -46.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.65 110.76 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -61.42 -14.39 27.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 3.62 110.885 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.0 -31.37 63.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.48 111.166 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.94 80.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 2.14 110.836 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.734 HD12 ' HB3' ' A' ' 95' ' ' LEU . 3.1 tt -72.75 -40.62 65.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 1.51 110.799 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.7 m -59.97 -45.42 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 0.55 110.025 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.16 89.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.72 -0.673 . . . . 0.52 110.64 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -60.4 -54.55 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.568 -0.742 . . . . 0.72 110.81 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD23 HD23 ' A' ' 24' ' ' LEU . 4.1 mm? -59.83 -32.65 70.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.806 -0.634 . . . . 1.09 111.168 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -61.33 -33.13 73.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 1.2 110.965 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.72 79.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.68 111.107 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -12.26 61.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 1.16 111.025 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 54.9 34.57 22.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 2.03 111.219 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.36 22.6 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.54 111.076 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -64.05 -36.74 84.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.5 111.089 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.24 -32.56 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 2.32 110.791 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.87 -27.74 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 3.29 110.812 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -65.29 -57.08 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.65 110.364 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.18 -55.75 16.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.939 -0.573 . . . . 0.41 111.055 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -60.79 -33.8 73.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.966 -0.561 . . . . 0.51 111.501 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.33 -35.12 64.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.38 . . . . 0.47 111.378 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -105.76 6.32 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 0.5 111.096 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.4 85.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.045 -0.525 . . . . 2.14 110.841 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.41 163.93 14.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 1.03 111.027 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -69.98 131.0 89.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 1.41 110.666 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.3 -21.47 44.34 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.45 2.1 . . . . 1.32 112.199 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -33.41 75.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 2.01 110.685 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -77.46 -34.29 54.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 1.94 110.664 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.701 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.7 t -63.72 -36.65 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.88 111.001 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.36 -46.77 88.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 2.44 111.058 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -37.79 78.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 2.12 111.286 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 48' ' ' VAL . 24.9 mt -63.9 -62.62 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.432 -0.349 . . . . 0.47 111.115 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -53.18 -28.4 26.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.203 -0.453 . . . . 1.42 111.081 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -58.63 -65.82 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 0.93 110.907 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.92 -33.73 74.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 2.48 110.84 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.7 tmmt? -59.59 -22.15 61.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 1.77 111.064 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 3.02 111.477 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . 1.3 m . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 121.043 0.449 . . . . 1.51 110.856 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -60.29 -37.72 81.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.39 111.505 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.8 m -64.82 -37.02 86.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.66 111.038 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.531 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 2.4 t-20 -61.39 -53.88 50.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.79 110.852 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -64.61 -37.0 86.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.72 110.581 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.77 -48.66 79.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.5 110.776 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.98 -36.36 83.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.65 111.031 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -62.81 -21.89 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 1.48 111.414 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.8 mt -97.32 -53.43 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.43 -0.35 . . . . 0.52 111.397 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -71.27 -54.02 12.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.63 110.756 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.408 ' CA ' HG21 ' A' ' 13' ' ' ILE . . . -88.76 91.41 1.72 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.783 -0.722 . . . . 1.08 112.382 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 157.18 -49.27 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.822 -0.704 . . . . 1.54 112.394 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -86.39 -47.32 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 1.99 110.682 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -70.14 -20.13 63.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 1.53 110.605 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.457 ' ND2' ' HD2' ' A' ' 14' ' ' ARG . 9.8 t-20 57.02 53.17 8.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 3.1 111.052 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -78.37 177.68 8.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 2.8 110.957 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.5 p -98.49 159.35 15.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.799 -0.637 . . . . 1.17 111.398 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.413 HG22 HD21 ' A' ' 16' ' ' LEU . 2.5 t -64.94 -32.57 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 1.25 111.014 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -59.81 -42.77 94.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.029 -0.532 . . . . 2.24 111.188 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -45.37 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.71 111.19 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.45 HD23 HD13 ' A' ' 96' ' ' ILE . 64.9 tp -61.78 -40.57 95.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.5 111.289 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.93 -58.65 7.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.73 111.299 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.36 -23.54 64.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.67 111.415 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.58 -45.7 78.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.23 110.973 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -58.64 -35.57 72.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.46 111.041 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -53.36 -29.19 33.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 1.59 111.302 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -45.41 87.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 2.31 110.813 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.9 mt -94.14 3.88 54.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 1.57 111.028 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 56.95 48.45 15.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 2.87 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.487 HD13 HD11 ' A' ' 28' ' ' LEU . 5.0 mt -90.09 75.69 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.31 110.874 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.0 -29.2 42.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 1.84 111.082 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -70.38 -53.58 16.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 1.98 110.86 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.86 -34.21 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.42 111.32 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.0 mtm -60.04 -63.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 1.29 111.442 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -16.2 10.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.197 -0.456 . . . . 3.39 111.653 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.734 ' HB3' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -70.94 -40.57 71.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.743 0.306 . . . . 0.79 110.857 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.45 HD13 HD23 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -126.72 54.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 1.29 111.145 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.552 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -90.5 -39.77 12.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 2.85 111.069 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.5 3.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 1.64 111.401 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -108.9 -10.42 15.09 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.794 0.294 . . . . 1.13 111.794 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.671 0.272 . . . . 1.37 111.017 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.861 0.362 . . . . 1.23 110.948 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.04 145.26 10.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.62 111.174 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.44 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.8 mt -53.54 -28.1 15.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 0.65 110.758 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -41.03 69.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 2.82 110.622 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -38.39 90.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 1.51 110.676 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.674 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.42 110.69 1.92 Allowed Pre-proline 0 C--O 1.232 0.164 0 CA-C-N 116.144 -0.48 . . . . 0.93 110.825 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.13 123.94 15.06 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.521 2.147 . . . . 0.48 112.454 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.437 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -59.31 -47.04 98.97 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.054 -0.521 . . . . 1.64 111.537 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 77.2 Cg_exo -48.37 -32.1 19.24 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.255 1.97 . . . . 0.59 112.478 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.561 HG11 ' OH ' ' A' ' 99' ' ' TYR . 45.9 t -84.92 -33.08 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.65 110.624 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.674 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -58.12 -36.93 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.984 -0.553 . . . . 3.62 110.793 179.454 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.04 46.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 0.48 111.598 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.78 -44.97 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.431 -0.35 . . . . 2.14 110.943 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.621 HD23 HD13 ' A' ' 95' ' ' LEU . 2.6 tm? -80.63 -33.36 35.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 1.51 110.781 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.1 m -59.27 -43.0 92.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.55 110.332 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.99 97.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.883 -0.599 . . . . 0.52 110.733 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.431 ' HD2' HD22 ' A' ' 28' ' ' LEU . 78.2 t60 -60.44 -52.75 63.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 0.72 111.46 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.498 HD23 ' CD1' ' A' ' 24' ' ' LEU . 4.1 mm? -59.04 -52.65 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 1.09 111.391 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.75 -20.67 66.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 1.2 111.28 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.44 -35.75 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.68 110.782 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -0.64 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 1.16 110.854 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.12 49.64 11.16 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.055 -0.52 . . . . 2.03 110.695 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.96 26.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.54 111.329 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.603 ' HA ' HD12 ' A' ' 37' ' ' LEU . 56.4 p-90 -58.34 -29.04 65.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.921 0.391 . . . . 0.5 110.598 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -62.8 -30.5 71.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.57 . . . . 2.32 110.75 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -71.22 -40.39 71.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.905 -0.589 . . . . 3.29 110.952 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 34' ' ' TRP . 11.0 mt -56.91 -54.79 42.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.65 110.792 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.23 -64.81 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.41 111.575 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -60.07 -25.54 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.51 112.094 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -54.0 -36.26 62.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.916 0.388 . . . . 0.47 110.719 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -4.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.988 -0.551 . . . . 0.5 110.033 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.46 97.68 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.345 -0.843 . . . . 2.14 111.546 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.75 163.1 25.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 1.03 110.656 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -69.26 137.63 89.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 1.41 110.277 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.79 -13.72 9.17 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.554 2.169 . . . . 1.32 112.509 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.5 -36.81 83.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 2.01 110.568 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -78.21 -37.65 44.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 1.94 110.487 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 51' ' ' ILE . 5.2 t -64.12 -33.08 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.88 111.028 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.8 -44.92 96.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 2.44 110.952 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.95 -31.14 69.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 2.12 110.809 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 48' ' ' VAL . 20.5 mt -76.22 -55.17 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.47 111.284 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.7 p -53.77 -40.25 66.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 1.42 111.395 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -64.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.93 111.308 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -60.78 -26.86 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 2.48 111.197 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -60.5 -35.54 76.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 1.77 110.947 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 3.02 111.254 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' ' 63' ' ' ASN . 70.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.761 0.315 . . . . 1.51 110.824 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.69 80.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.39 111.204 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -65.3 -36.88 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.66 110.898 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.48 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 0.9 OUTLIER -60.6 -52.57 64.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 1.79 110.839 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -64.65 -38.38 90.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 1.72 110.523 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -57.6 -46.52 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.5 110.738 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.91 -33.94 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.65 111.325 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -63.44 -32.59 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 1.48 111.734 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.0 mt -91.52 -40.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.495 -0.32 . . . . 0.52 111.753 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.7 t90 -71.5 -21.58 61.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.63 111.105 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -111.09 72.57 0.21 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.708 -0.758 . . . . 1.08 112.469 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.57 -67.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.55 -0.833 . . . . 1.54 112.595 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -71.17 -13.12 61.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.672 0.272 . . . . 1.99 111.159 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -111.28 -25.6 9.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 1.53 110.91 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 t30 55.6 53.05 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 3.1 111.061 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -162.57 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 2.8 110.713 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.9 p -142.88 166.76 23.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.824 0.345 . . . . 1.17 111.014 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -63.87 -13.7 13.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 1.25 111.474 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -60.25 -67.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 2.24 110.821 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 m -55.14 -33.89 63.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.71 110.993 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 50.4 tp -60.94 -40.08 91.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 0.5 110.763 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.02 -52.27 63.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.027 -0.533 . . . . 0.73 111.106 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -17.29 57.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.67 111.903 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 24.9 tp -65.4 -57.13 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.618 -0.265 . . . . 1.23 111.012 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -58.39 -28.2 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.46 111.066 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.99 -33.33 56.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 1.59 111.255 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -58.23 -41.86 85.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 2.31 111.148 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.419 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -92.2 -0.26 57.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 1.57 111.038 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mttt 55.86 46.19 22.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 2.87 110.824 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.419 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 18.0 mt -89.13 83.04 6.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 1.31 110.85 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -15.01 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 1.84 111.477 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.03 -48.68 8.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 1.98 111.05 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.46 71.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.42 111.638 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.542 ' HG3' ' H ' ' A' ' 94' ' ' ARG . 10.7 ptp -59.83 -58.81 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.511 -0.313 . . . . 1.29 111.303 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.542 ' H ' ' HG3' ' A' ' 93' ' ' MET . 5.5 ptp180 -59.16 -15.77 16.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.394 -0.366 . . . . 3.39 111.25 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.621 HD13 HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -72.75 -40.9 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.79 111.07 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.15 43.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.359 -0.382 . . . . 1.29 111.321 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.4 ptpt -88.49 -33.0 17.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 2.85 110.829 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.08 2.16 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 1.64 111.51 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.561 ' OH ' HG11 ' A' ' 20' ' ' VAL . 92.7 m-85 -111.29 -8.32 14.36 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.935 0.346 . . . . 1.13 111.935 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.672 0.272 . . . . 1.37 111.054 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.449 ' O ' HG23 ' A' ' 77' ' ' VAL . 4.0 ptm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.715 0.293 . . . . 1.23 110.839 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.55 153.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.62 110.754 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.637 ' H ' ' HB2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -51.88 -26.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.65 110.903 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -54.16 -39.03 66.17 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.315 -0.402 . . . . 2.82 110.477 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -47.24 67.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.522 . . . . 1.51 110.033 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.572 HD13 ' HD2' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -53.3 112.47 3.66 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.86 -0.609 . . . . 0.93 110.76 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.572 ' HD2' HD13 ' A' ' 16' ' ' LEU . 75.5 Cg_exo -50.27 111.24 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.31 2.007 . . . . 0.48 112.305 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.615 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -53.95 -48.85 92.53 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.039 -0.528 . . . . 1.64 111.734 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.2 Cg_endo -51.96 -26.03 23.76 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.199 1.933 . . . . 0.59 112.22 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.57 -41.62 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.65 110.477 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.503 HH12 HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -58.41 -33.88 70.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 3.62 110.69 179.342 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.85 -28.28 63.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 0.48 111.329 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.95 -47.98 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 2.14 110.805 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' A' ' 95' ' ' LEU . 8.0 tt -69.82 -41.17 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 1.51 110.754 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.7 m -57.86 -40.78 80.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.55 110.297 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.17 98.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.851 -0.613 . . . . 0.52 110.779 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -62.44 -60.34 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.663 -0.699 . . . . 0.72 111.396 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 92' ' ' ALA . 4.0 mm? -58.45 -43.52 88.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.902 -0.59 . . . . 1.09 111.606 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.12 -29.72 70.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 1.2 111.199 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.11 -27.8 67.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.38 . . . . 0.68 110.876 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.94 0.85 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.525 . . . . 1.16 110.935 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.79 48.05 11.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.126 -0.488 . . . . 2.03 110.788 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.6 22.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.54 111.297 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.757 ' HA ' HD12 ' A' ' 37' ' ' LEU . 47.6 p-90 -60.72 -29.21 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.5 110.815 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -26.11 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 2.32 110.986 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.451 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -71.91 -41.4 67.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 3.29 110.935 -179.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' A' ' 34' ' ' TRP . 3.1 mt -59.63 -55.47 33.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.897 0.38 . . . . 0.65 110.566 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.96 -59.47 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.41 111.588 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -60.01 -32.33 70.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.13 -0.486 . . . . 0.51 111.717 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.76 -36.27 64.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.514 -0.312 . . . . 0.47 111.324 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 m -107.38 8.53 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 0.5 111.12 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.87 102.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.085 -0.507 . . . . 2.14 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mt -127.19 152.43 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.03 111.091 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -69.96 133.05 88.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 1.41 110.726 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.64 -29.18 78.5 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.415 2.077 . . . . 1.32 112.227 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -31.27 72.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 2.01 110.372 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -77.86 -29.73 50.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 1.94 110.176 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 51' ' ' ILE . 37.6 t -63.74 -33.33 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.88 110.572 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -43.24 99.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.952 -0.567 . . . . 2.44 110.786 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.49 -42.88 93.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 2.12 110.88 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 48' ' ' VAL . 13.7 mt -65.57 -51.25 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.021 -0.536 . . . . 0.47 111.167 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -54.68 -37.39 65.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 1.42 111.401 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -57.61 -56.7 18.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.93 111.268 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -61.43 -34.58 75.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 2.48 111.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -26.99 67.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 1.77 111.272 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 3.02 111.348 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.798 0.332 . . . . 1.51 110.773 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.98 76.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.39 111.493 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.4 m -64.58 -29.64 70.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.66 111.139 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.88 -59.42 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 1.79 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -36.15 83.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 1.72 110.552 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -57.47 -41.96 81.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.5 110.493 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -38.44 91.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.65 110.911 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -62.98 -58.35 7.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 1.48 111.332 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.8 -34.12 61.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.52 111.673 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.2 t90 -71.44 -25.77 62.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.771 0.32 . . . . 0.63 111.039 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -108.27 88.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 1.08 112.432 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 162.94 -22.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.002 -0.618 . . . . 1.54 112.259 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -154.19 16.59 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.856 0.36 . . . . 1.99 110.779 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -139.56 31.35 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.53 110.905 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.77 88.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.87 -0.605 . . . . 3.1 111.433 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.637 ' HB2' ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -76.72 116.83 17.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.589 . . . . 2.8 111.144 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.56 122.75 7.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.261 -0.427 . . . . 1.17 111.035 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 11' ' ' MET . 13.8 t -63.2 -24.16 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 1.25 111.154 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -51.45 69.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 2.24 110.645 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.2 m -55.45 -32.95 63.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.71 111.228 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 tp -61.74 -48.13 82.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.5 111.198 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.43 -52.66 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.73 110.949 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.38 -18.1 57.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.67 111.343 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -59.88 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 1.23 110.983 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -58.26 -26.43 62.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.463 . . . . 0.46 111.143 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -36.69 61.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 1.59 111.024 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -58.9 -42.69 90.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 2.31 110.993 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 1.5 mt -92.43 -0.87 57.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 1.57 110.849 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mttm 54.52 45.27 27.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 2.87 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.471 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 19.6 mt -88.82 80.33 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.31 110.96 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -55.01 -24.2 23.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 1.84 110.955 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -67.21 -61.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 1.98 111.109 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' A' ' 28' ' ' LEU . . . -53.58 -43.99 69.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.221 -0.445 . . . . 0.42 111.359 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.9 mtp -58.91 -51.14 71.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 1.29 110.88 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -59.78 -14.61 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 3.39 111.325 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -81.63 -24.92 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.516 -0.311 . . . . 0.79 111.243 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.503 HG21 HH12 ' A' ' 21' ' ' ARG . 0.9 OUTLIER -130.3 68.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.991 0.425 . . . . 1.29 111.711 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 -46.68 4.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 2.85 110.746 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.48 3.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 1.64 111.522 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.48 -20.72 13.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.569 -0.287 . . . . 1.13 111.257 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.433 -0.349 . . . . 1.37 110.93 179.618 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.705 0.288 . . . . 1.23 110.901 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.96 150.52 5.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.62 111.1 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.425 HD12 ' HB3' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -60.8 -28.01 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.65 110.809 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -55.84 -29.45 59.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.237 -0.438 . . . . 2.82 110.737 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -34.68 67.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 1.51 110.765 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.578 ' HB3' HH11 ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.01 109.34 1.32 Allowed Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.057 -0.52 . . . . 0.93 110.724 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -51.2 122.9 10.86 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.53 2.153 . . . . 0.48 112.486 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -59.09 -50.86 85.61 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.161 -0.472 . . . . 1.64 111.645 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.7 Cg_endo -52.01 -26.81 26.49 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.215 1.943 . . . . 0.59 112.102 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.516 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 80.8 t -85.9 -40.23 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.032 -0.531 . . . . 0.65 110.528 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.578 HH11 ' HB3' ' A' ' 16' ' ' LEU . 3.4 ttp180 -61.51 -28.92 69.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.103 -0.499 . . . . 3.62 110.971 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.41 -37.84 73.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.75 -0.659 . . . . 0.48 112.691 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 6.0 pt20 -66.84 -34.47 77.87 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.959 -0.296 . . . . 2.14 111.265 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.634 HD13 HD22 ' A' ' 95' ' ' LEU . 39.1 tp -78.06 -38.27 44.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 1.51 110.784 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 80.2 m -59.51 -52.28 66.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.334 -0.394 . . . . 0.55 110.255 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -30.21 70.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.52 110.491 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -61.27 -64.63 0.89 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.993 -0.548 . . . . 0.72 110.817 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.62 -39.62 81.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 1.09 110.793 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.0 -24.35 67.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 1.2 110.971 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.45 -31.91 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.984 0.421 . . . . 0.68 110.479 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.58 1.91 7.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 1.16 110.674 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t0 58.53 45.57 16.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.053 -0.521 . . . . 2.03 110.569 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 36' ' ' GLN . 28.2 m -134.14 32.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.54 111.32 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -63.1 -37.86 88.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.5 110.517 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -23.78 67.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.961 -0.563 . . . . 2.32 110.822 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -71.41 -40.82 70.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 3.29 111.031 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.18 -54.88 40.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.65 110.672 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -50.92 -59.8 3.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.51 . . . . 0.41 111.374 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 m -60.32 -33.18 72.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 0.51 111.615 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.16 65.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 0.47 111.151 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 m -104.73 3.64 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.5 110.828 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.42 101.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.909 -0.587 . . . . 2.14 111.043 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 38' ' ' ALA . 8.6 mt -128.3 154.51 45.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 1.03 110.917 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -69.38 134.35 88.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.41 110.399 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.34 -18.75 25.68 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.418 2.079 . . . . 1.32 112.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -71.88 -31.79 66.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.421 . . . . 2.01 110.714 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -78.41 -33.11 48.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 1.94 110.747 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.715 ' HA ' HD12 ' A' ' 51' ' ' ILE . 5.4 t -64.36 -31.81 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.88 111.065 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.94 -46.19 90.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 2.44 110.883 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -59.27 -26.82 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 2.12 111.204 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 48' ' ' VAL . 30.2 mt -79.0 -62.44 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.407 . . . . 0.47 111.303 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.3 p -55.17 -12.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 1.42 111.747 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -56.85 -69.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.669 0.271 . . . . 0.93 111.147 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -62.85 -26.02 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 2.48 111.161 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -60.16 -12.41 8.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 1.77 111.388 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.185 0 CA-C-N 116.404 -0.362 . . . . 3.02 111.555 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.805 0.336 . . . . 1.51 111.051 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.12 92.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.39 111.308 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.8 m -64.01 -26.05 68.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.66 111.01 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -61.09 -52.49 64.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 1.79 110.546 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -40.72 92.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 1.72 110.591 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.95 -43.21 81.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 0.5 110.68 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.476 HD12 ' NE ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -64.42 -34.7 78.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.65 110.824 179.551 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -63.42 -55.25 25.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 1.48 111.48 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.88 -45.43 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 0.52 111.628 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -71.6 -14.8 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.63 111.013 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.71 96.58 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.685 -0.769 . . . . 1.08 112.641 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.41 -44.16 1.25 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.779 -0.724 . . . . 1.54 112.281 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -73.34 -27.18 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 1.99 110.742 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -113.06 -11.74 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 1.53 110.944 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 57.84 55.13 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 3.1 110.955 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -77.34 -162.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 2.8 110.806 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.93 163.98 34.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 1.17 111.187 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 77' ' ' VAL . 2.7 m -62.69 -19.18 22.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 1.25 111.402 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -58.55 -63.08 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 2.24 110.777 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -55.36 -34.54 64.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.71 111.245 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 48.4 tp -61.05 -44.16 97.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.435 . . . . 0.5 110.776 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -62.11 -57.34 11.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.73 110.82 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.94 -17.26 61.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.989 -0.551 . . . . 0.67 111.755 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 16.5 tp -65.49 -52.53 52.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 1.23 110.966 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -58.6 -32.35 68.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.46 111.167 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -53.62 -27.32 26.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 1.59 111.18 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -57.57 -52.73 64.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 2.31 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.34 3.07 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 1.57 110.836 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt 58.55 52.73 6.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.997 -0.547 . . . . 2.87 111.036 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.8 mt -90.64 73.6 6.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 1.31 111.024 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -54.4 -27.87 39.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 1.84 111.148 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -66.21 -60.13 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 1.98 111.08 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.48 -34.76 59.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.074 -0.512 . . . . 0.42 111.459 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.9 mtp -59.01 -53.09 62.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 1.29 111.172 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -56.95 -28.37 62.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 3.39 111.465 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.634 HD22 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.4 -35.73 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.79 111.194 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 pt -120.25 31.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 1.29 111.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 51.65 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.969 0.414 . . . . 2.85 110.86 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.1 11.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.947 -0.57 . . . . 1.64 111.521 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -114.91 -5.98 12.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.046 0.451 . . . . 1.13 110.468 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.797 -0.638 . . . . 1.37 111.061 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 ptm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.841 0.353 . . . . 1.23 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HB3' ' HG2' ' A' ' 14' ' ' ARG . . . -51.02 149.11 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.62 111.501 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 75' ' ' HIS . 3.1 mt -56.76 -22.04 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.588 -0.733 . . . . 0.65 110.938 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.534 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 14.9 ptm180 -56.72 -10.65 1.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.337 -0.392 . . . . 2.82 111.395 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.406 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.9 tt -103.53 -30.97 10.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.782 -0.451 . . . . 1.51 109.782 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.559 HD12 ' HD3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -51.14 104.82 0.45 Allowed Pre-proline 0 C--O 1.231 0.121 0 CA-C-N 115.828 -0.624 . . . . 0.93 110.438 179.418 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HB2' HG23 ' A' ' 20' ' ' VAL . 23.6 Cg_exo -67.09 135.26 36.78 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.813 2.342 . . . . 0.48 112.466 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.614 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.1 tp -59.22 -49.42 92.97 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.846 -0.616 . . . . 1.64 112.147 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.4 Cg_endo -52.64 -29.78 42.81 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.106 1.871 . . . . 0.59 112.698 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 17' ' ' PRO . 12.4 t -87.18 -41.79 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.65 111.13 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.559 ' HD3' HD12 ' A' ' 16' ' ' LEU . 13.9 ttp180 -60.08 -35.92 76.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 3.62 111.163 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.31 -22.99 45.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.48 111.425 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.77 -33.43 74.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 2.14 110.742 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.598 HD11 ' HB1' ' A' ' 92' ' ' ALA . 58.6 tp -91.21 -28.76 17.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 1.51 110.832 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m -61.48 -39.19 90.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.978 0.418 . . . . 0.55 110.306 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -46.28 91.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.52 110.662 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.55 -49.0 79.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.65 -0.704 . . . . 0.72 110.887 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD12 HD11 ' A' ' 37' ' ' LEU . 4.1 mm? -58.61 -46.05 87.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 1.09 111.411 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' HB2' ' OG ' ' A' ' 62' ' ' SER . 14.3 t70 -73.21 -19.43 61.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 1.2 111.167 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.54 78.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.68 110.773 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.98 -3.52 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 1.16 110.897 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 56.33 51.09 12.05 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.495 . . . . 2.03 110.685 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.56 31.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.938 -0.574 . . . . 0.54 111.375 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -57.83 -31.21 66.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.5 110.76 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -28.86 70.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 2.32 110.897 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.494 ' OE1' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.94 -42.53 66.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 3.29 110.934 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD11 HD12 ' A' ' 28' ' ' LEU . 1.7 mt -58.03 -56.97 15.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.913 0.387 . . . . 0.65 110.599 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.76 -58.28 6.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.926 -0.579 . . . . 0.41 111.597 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 m -59.65 -31.7 69.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.092 -0.504 . . . . 0.51 111.724 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.51 -36.89 67.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.47 111.447 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.6 m -105.52 9.66 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.533 -0.303 . . . . 0.5 111.226 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.99 96.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 2.14 111.104 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mt -115.6 147.33 40.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 1.03 111.084 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.486 ' O ' HG23 ' A' ' 48' ' ' VAL . 92.3 m-85 -69.75 160.35 80.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 1.41 110.634 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 44' ' ' TYR . 32.3 Cg_endo -61.13 -37.85 71.78 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.55 2.167 . . . . 1.32 111.925 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -27.84 69.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 2.01 110.189 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -78.78 -42.29 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.882 -0.599 . . . . 1.94 110.581 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 44' ' ' TYR . 17.0 t -63.47 -49.19 83.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.88 110.814 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.94 -37.95 84.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 2.44 110.464 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -59.5 -43.25 93.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.9 -0.591 . . . . 2.12 110.942 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.88 -47.3 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.47 111.236 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -53.65 -38.19 63.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 1.42 111.292 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.18 -60.1 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.93 111.138 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -33.68 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 2.48 111.228 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 61' ' ' ALA . 2.6 tttm -59.43 -40.16 85.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.353 -0.385 . . . . 1.77 111.123 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 3.02 111.238 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.753 0.311 . . . . 1.51 110.864 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB2' ' HE2' ' A' ' 55' ' ' LYS . . . -61.12 -36.04 78.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.39 111.163 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.421 ' OG ' ' HB2' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -64.56 -34.24 77.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.66 110.824 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -51.01 71.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 1.79 110.641 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -39.33 91.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 1.72 110.445 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.45 -48.69 78.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.953 -0.567 . . . . 0.5 110.894 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 66' ' ' LEU . 2.5 mm? -63.66 -29.94 71.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.65 110.872 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -63.9 -62.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 1.48 111.51 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.69 -46.57 94.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.52 111.774 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -70.87 -18.4 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.63 111.094 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.11 88.15 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.569 -0.824 . . . . 1.08 112.597 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.8 -41.17 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 1.54 112.612 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -111.75 -29.09 7.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 1.99 110.958 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.62 -14.89 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 1.53 110.845 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 54.53 44.21 29.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 3.1 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.468 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -77.82 -168.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 2.8 111.023 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.448 HG22 ' HA ' ' A' ' 12' ' ' ALA . 53.7 p -142.82 165.62 26.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.407 -0.36 . . . . 1.17 110.786 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 99' ' ' TYR . 5.1 m -62.56 -19.73 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 1.25 111.409 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.55 -54.06 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 2.24 110.795 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.47 -37.6 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.71 111.246 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.95 -45.06 96.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.5 110.808 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.442 ' CD2' HG11 ' A' ' 100' ' ' VAL . 15.5 t80 -61.0 -46.54 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.73 110.792 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.31 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.67 111.113 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.7 -52.91 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 1.23 110.895 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -58.22 -28.51 64.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.46 111.424 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -53.97 -29.57 43.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.721 0.296 . . . . 1.59 111.006 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -59.31 -54.59 45.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 2.31 111.169 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.494 HD22 ' OE1' ' A' ' 36' ' ' GLN . 1.2 mp -92.58 -3.5 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 1.57 111.16 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 51.89 67.93 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 2.87 110.456 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 89' ' ' LEU . 4.3 mp -90.28 85.26 6.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 1.31 111.231 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -37.42 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 1.84 111.488 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -71.21 -59.46 2.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.425 . . . . 1.98 111.783 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.598 ' HB1' HD11 ' A' ' 24' ' ' LEU . . . -52.35 -32.98 40.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.4 . . . . 0.42 111.731 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 29.2 mtt -59.63 -47.33 86.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.391 -0.368 . . . . 1.29 111.383 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.579 ' HA ' ' HG3' ' A' ' 97' ' ' LYS . 34.3 mtp180 -57.85 -27.95 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 3.39 111.649 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.12 -31.65 71.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.478 -0.328 . . . . 0.79 111.463 -179.419 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.02 56.68 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 1.29 111.352 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.579 ' HG3' ' HA ' ' A' ' 94' ' ' ARG . 6.3 mmtp -96.73 -44.88 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 2.85 110.737 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.5 1.2 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.64 111.362 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' O ' HG21 ' A' ' 77' ' ' VAL . 78.5 m-85 -106.53 -20.15 13.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.547 -0.297 . . . . 1.13 111.42 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 81' ' ' PHE . 3.5 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.774 0.321 . . . . 1.37 110.923 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.6 ptm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.874 0.369 . . . . 1.23 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' HB1' ' OD1' ' A' ' 74' ' ' ASN . . . -52.9 146.47 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.62 111.271 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.65 -23.57 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 0.65 110.523 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -27.19 39.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.957 -0.565 . . . . 2.82 110.681 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.51 -33.14 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 1.51 110.32 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.583 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -50.46 105.13 0.48 Allowed Pre-proline 0 C--N 1.333 -0.119 0 CA-C-N 116.021 -0.536 . . . . 0.93 110.596 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.58 ' HB2' HG23 ' A' ' 20' ' ' VAL . 36.3 Cg_exo -61.61 126.8 19.94 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.436 2.091 . . . . 0.48 112.421 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.646 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -57.13 -48.07 98.02 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.825 -0.625 . . . . 1.64 112.058 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 2.8 Cg_endo -45.61 -27.85 3.92 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.5 2.133 . . . . 0.59 112.543 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.58 HG23 ' HB2' ' A' ' 17' ' ' PRO . 3.1 t -85.73 -43.68 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 0.65 110.766 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.583 ' HG2' HD12 ' A' ' 16' ' ' LEU . 9.1 mtm180 -59.65 -29.44 68.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 3.62 110.633 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.3 -33.47 69.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 0.48 111.665 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -67.22 -42.12 84.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.392 -0.367 . . . . 2.14 111.175 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' O ' HD23 ' A' ' 28' ' ' LEU . 31.1 tp -77.24 -33.87 55.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.297 -0.41 . . . . 1.51 111.206 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.4 m -61.3 -44.9 96.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.423 . . . . 0.55 110.207 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.84 97.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.672 -0.695 . . . . 0.52 110.582 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.478 ' HD2' HD22 ' A' ' 28' ' ' LEU . 64.0 t60 -59.58 -49.51 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.559 -0.746 . . . . 0.72 110.998 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.27 -32.22 69.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 1.09 111.106 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.48 -33.14 73.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 1.2 110.907 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.61 -37.33 79.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.68 110.97 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.8 -14.94 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 1.16 110.998 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.63 58.71 4.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 2.03 111.139 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 m -138.08 32.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.54 111.267 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.509 ' HA ' HD12 ' A' ' 37' ' ' LEU . 42.9 p-90 -67.64 -35.05 78.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.371 -0.377 . . . . 0.5 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -39.08 93.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 2.32 110.914 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -72.28 -35.45 68.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 3.29 110.938 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 34' ' ' TRP . 16.5 mt -59.58 -54.52 45.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.999 0.428 . . . . 0.65 110.13 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.46 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.846 -0.615 . . . . 0.41 111.456 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -59.27 -23.66 62.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.03 -0.532 . . . . 0.51 112.118 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -52.72 -32.91 45.43 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.832 0.349 . . . . 0.47 110.731 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 m -106.12 -5.94 10.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.5 110.268 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.48 100.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.581 -0.736 . . . . 2.14 111.597 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.4 178.32 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 1.03 110.919 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -69.41 161.81 71.02 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 1.41 110.591 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.35 -29.73 13.55 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.415 2.076 . . . . 1.32 111.84 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -64.08 -23.51 67.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 2.01 110.617 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.92 -51.23 10.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.527 . . . . 1.94 110.512 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.2 t -63.48 -44.79 98.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.88 110.737 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -45.41 94.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 2.44 110.707 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -58.83 -37.94 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 2.12 111.088 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.5 mt -68.96 -57.31 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 0.47 111.203 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -53.39 -35.61 60.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.417 . . . . 1.42 111.057 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.6 t -58.37 -59.13 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.93 111.095 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -33.56 73.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 2.48 111.232 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -60.58 -26.34 66.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 1.77 111.429 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 116.503 -0.317 . . . . 3.02 111.744 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.707 0.289 . . . . 1.51 110.787 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.66 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.39 111.124 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -35.99 82.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.66 110.796 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -52.86 63.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.696 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.57 -38.93 92.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.72 110.639 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -57.81 -45.56 85.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.942 -0.572 . . . . 0.5 111.041 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.16 -33.19 75.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.65 111.111 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.24 -38.34 90.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 1.48 111.644 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.8 mt -87.0 -50.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.321 . . . . 0.52 111.774 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -70.19 -53.29 17.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.394 -0.366 . . . . 0.63 111.026 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.76 72.79 1.42 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.705 -0.759 . . . . 1.08 112.477 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.52 -76.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 1.54 112.563 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.07 -27.98 66.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.789 0.328 . . . . 1.99 110.97 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -81.52 -28.75 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 1.53 110.914 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.467 ' OD1' ' HB1' ' A' ' 12' ' ' ALA . 52.6 t30 54.53 54.78 8.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.128 -0.487 . . . . 3.1 110.839 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -178.73 5.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 2.8 111.205 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.44 148.53 21.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.548 . . . . 1.17 111.375 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 16' ' ' LEU . 7.6 m -64.75 -27.15 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 1.25 110.997 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -59.4 -42.71 92.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 2.24 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -54.87 -34.76 63.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.71 111.056 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.95 -45.65 93.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.538 . . . . 0.5 110.966 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.414 ' HB2' HG11 ' A' ' 100' ' ' VAL . 8.9 t80 -62.22 -57.55 11.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.73 111.133 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.22 -16.93 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 0.67 111.653 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.8 tp -66.48 -59.46 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.518 -0.31 . . . . 1.23 110.978 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -58.28 -22.15 51.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.46 111.455 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -37.89 62.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.342 -0.39 . . . . 1.59 110.896 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -59.02 -39.18 81.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 2.31 110.974 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.17 -1.87 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 1.57 111.037 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt 57.12 40.09 28.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 2.87 111.069 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -89.26 72.72 8.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 1.31 110.891 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -53.26 -33.97 55.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 1.84 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -60.45 -56.53 20.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 1.98 110.885 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.457 ' HB1' HD11 ' A' ' 24' ' ' LEU . . . -53.12 -40.58 64.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.081 -0.509 . . . . 0.42 111.268 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.414 ' O ' HG13 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -60.95 -48.22 82.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 1.29 110.99 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -21.31 59.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 3.39 111.533 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.446 HD22 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.29 -26.91 68.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.512 -0.313 . . . . 0.79 111.508 -179.417 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 93' ' ' MET . 1.5 pt -108.95 -103.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.769 -0.196 . . . . 1.29 110.581 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 96' ' ' ILE . 4.5 mtpt 72.8 -51.77 0.71 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.168 0.432 . . . . 2.85 112.168 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -0.44 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.713 0.264 . . . . 1.64 111.713 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.432 ' O ' HG21 ' A' ' 77' ' ' VAL . 83.2 m-85 -111.37 -15.38 13.59 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.68 0.252 . . . . 1.13 111.68 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.414 HG11 ' HB2' ' A' ' 81' ' ' PHE . 1.4 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 1.37 111.092 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 1.23 110.916 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 151.66 3.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.62 111.166 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -26.7 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.786 -0.643 . . . . 0.65 110.877 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -55.02 -34.34 63.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 2.82 111.051 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -73.61 -36.51 65.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 1.51 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.778 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -52.43 112.13 3.13 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.93 110.957 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.426 ' HD2' HD13 ' A' ' 16' ' ' LEU . 78.4 Cg_exo -50.24 122.1 8.76 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.435 2.09 . . . . 0.48 112.434 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.624 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -56.69 -49.08 95.77 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.122 -0.49 . . . . 1.64 111.724 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.0 Cg_endo -52.23 -26.01 25.44 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.169 1.912 . . . . 0.59 112.389 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.1 t -86.09 -41.42 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.65 110.679 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.778 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.56 -35.98 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 3.62 110.952 179.652 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -21.48 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.891 -0.595 . . . . 0.48 111.514 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -59.8 3.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 2.14 110.688 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 28' ' ' LEU . 50.7 tp -66.89 -30.76 71.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.518 . . . . 1.51 110.735 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.7 m -61.71 -40.59 95.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.55 110.31 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.32 90.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.813 -0.63 . . . . 0.52 110.759 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -59.97 -48.98 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.796 -0.638 . . . . 0.72 111.067 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.4 mm? -60.09 -51.48 69.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 1.09 111.621 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -62.14 -23.28 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 1.2 111.084 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.94 -32.79 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.68 110.698 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.51 1.49 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.894 -0.594 . . . . 1.16 110.933 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t0 58.45 46.56 14.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.072 -0.513 . . . . 2.03 110.803 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.76 64.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.54 111.178 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -86.73 -37.86 17.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.5 110.782 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.08 -27.52 69.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 2.32 110.923 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' OE1' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.43 -37.83 71.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 3.29 110.939 -179.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.78 -61.39 2.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.807 0.336 . . . . 0.65 110.64 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.97 -55.15 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.41 111.631 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.7 m -60.47 -31.29 70.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.176 -0.465 . . . . 0.51 111.748 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.28 -33.72 63.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.666 0.269 . . . . 0.47 111.311 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.64 6.32 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.792 0.33 . . . . 0.5 111.191 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.55 102.67 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.039 -0.528 . . . . 2.14 111.082 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mt -123.39 164.6 18.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 1.03 111.109 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.513 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 21.7 m-85 -69.36 136.16 88.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 1.41 110.544 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.46 -10.15 12.84 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.546 2.164 . . . . 1.32 112.414 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -86.49 -32.53 20.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.424 -0.353 . . . . 2.01 110.724 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.513 ' HG3' ' HB2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -77.76 -39.47 44.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 1.94 110.5 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.554 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.8 t -63.76 -45.67 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.88 110.907 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.48 -38.73 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 2.44 110.944 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -33.34 71.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 2.12 111.135 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 48' ' ' VAL . 15.9 mt -74.23 -48.9 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.293 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 p -53.33 -30.89 41.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 1.42 111.263 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -68.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.93 111.108 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -61.41 -32.76 72.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 2.48 111.265 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 8.7 ttpt -59.12 -35.32 73.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 1.77 111.191 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 3.02 110.981 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.462 ' HB2' ' HB2' ' A' ' 63' ' ' ASN . 72.7 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.787 0.327 . . . . 1.51 110.774 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.433 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.11 -37.04 81.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.39 111.336 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -64.87 -41.78 95.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.66 111.03 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.462 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 2.3 m-20 -61.31 -48.92 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 1.79 111.038 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.87 -45.9 84.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 1.72 110.871 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -57.28 -35.8 70.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.535 . . . . 0.5 110.742 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -39.63 94.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.65 111.155 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -62.74 -45.66 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 1.48 111.476 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.2 mt -71.81 -49.96 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 0.52 111.812 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -70.66 -14.04 62.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.63 110.96 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.89 83.14 0.35 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.664 -0.779 . . . . 1.08 112.452 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.73 -40.34 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 1.54 112.623 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -116.53 10.51 14.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 1.99 111.192 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -119.61 -14.58 9.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.53 111.01 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 m120 51.63 47.15 25.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.188 -0.46 . . . . 3.1 111.067 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -164.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 2.8 110.832 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.38 157.43 43.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.902 0.382 . . . . 1.17 111.351 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.457 HG11 HD23 ' A' ' 16' ' ' LEU . 4.6 m -63.26 -22.09 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 1.25 111.625 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.08 -54.27 48.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 2.24 110.885 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 m -55.62 -32.43 63.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 0.71 111.457 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 47.6 tp -60.38 -43.97 96.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 0.5 110.917 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -61.56 -57.51 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.73 110.939 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.85 -15.65 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.67 111.739 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.55 -59.83 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 1.23 110.901 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.557 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 31.4 m-85 -58.48 -25.87 62.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.46 111.336 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -33.77 53.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 1.59 110.721 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -59.54 -43.16 93.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 2.31 110.815 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.544 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -93.92 -0.61 55.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 1.57 110.807 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.3 46.11 16.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.541 . . . . 2.87 111.263 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 95.2 mt -89.88 77.08 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.338 -0.392 . . . . 1.31 110.867 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -54.31 -32.24 56.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 1.84 111.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -50.17 54.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.394 . . . . 1.98 111.112 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.57 -45.97 70.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.42 111.248 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.446 ' O ' HG13 ' A' ' 96' ' ' ILE . 31.2 mtm -60.48 -44.59 95.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 1.29 110.973 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 94' ' ' ARG . 4.5 ttp-105 -59.78 -19.2 49.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 3.39 111.747 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -72.6 -23.66 60.97 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.758 0.281 . . . . 0.79 111.758 -179.376 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 93' ' ' MET . 1.3 pt -108.47 -97.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 121.198 -0.201 . . . . 1.29 110.776 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 100' ' ' VAL . 0.1 OUTLIER 67.88 -69.76 0.14 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.787 0.291 . . . . 2.85 111.787 179.545 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -0.94 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.58 -0.282 . . . . 1.64 111.508 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.621 ' HB3' HD21 ' A' ' 16' ' ' LEU . 98.2 m-85 -108.98 -16.13 14.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.617 -0.265 . . . . 1.13 111.255 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 97' ' ' LYS . 28.5 m . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 120.747 0.308 . . . . 1.37 111.226 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.495 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.766 0.317 . . . . 1.23 110.77 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.11 136.82 23.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.62 111.237 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.403 HD12 ' CB ' ' A' ' 75' ' ' HIS . 12.7 mt -56.2 -26.49 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.682 -0.69 . . . . 0.65 110.691 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -38.35 68.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 2.82 110.598 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -33.64 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 1.51 111.121 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.667 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.91 112.4 3.21 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.332 -0.394 . . . . 0.93 110.897 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD2' HD13 ' A' ' 16' ' ' LEU . 52.4 Cg_exo -53.11 123.0 12.14 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.444 2.096 . . . . 0.48 112.298 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.427 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -58.71 -47.69 98.24 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.183 -0.462 . . . . 1.64 111.529 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 84.4 Cg_exo -47.91 -29.44 11.72 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.341 2.027 . . . . 0.59 112.658 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.8 t -84.95 -41.56 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.302 -0.408 . . . . 0.65 111.052 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.667 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -59.54 -40.26 86.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 3.62 110.871 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.26 52.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 0.48 111.718 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -47.22 73.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.454 -0.339 . . . . 2.14 110.774 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.869 HD23 HD13 ' A' ' 95' ' ' LEU . 2.6 tm? -73.22 -29.03 62.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 1.51 110.302 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.5 m -59.41 -44.49 92.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.55 110.192 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.52 110.732 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -59.71 -56.8 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.412 -0.813 . . . . 0.72 111.276 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.833 HD11 HD13 ' A' ' 89' ' ' LEU . 3.9 mm? -60.03 -34.45 73.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 1.09 111.286 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.11 -34.13 71.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.332 -0.395 . . . . 1.2 111.104 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.68 -36.0 77.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.68 111.12 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -72.07 -8.57 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 1.16 111.167 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 53.54 62.27 2.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.443 . . . . 2.03 111.07 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.564 HG12 ' NE2' ' A' ' 36' ' ' GLN . 26.8 m -135.86 26.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.54 111.253 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -64.09 -39.47 94.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.5 110.634 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.37 -41.62 96.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 2.32 110.682 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.564 ' NE2' HG12 ' A' ' 33' ' ' VAL . 44.4 mt-30 -71.44 -29.06 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 3.29 110.533 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 4.9 mt -64.56 -49.34 71.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.161 0.505 . . . . 0.65 109.767 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -53.12 -64.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.584 -0.734 . . . . 0.41 111.078 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -25.13 66.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.51 111.7 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -52.56 -32.33 40.45 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.827 0.346 . . . . 0.47 110.732 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.425 HG13 HD13 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -105.13 -6.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.5 110.247 179.092 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.36 98.02 0.03 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.562 -0.745 . . . . 2.14 111.562 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.24 -171.19 2.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.094 -0.503 . . . . 1.03 110.664 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' O ' HG23 ' A' ' 48' ' ' VAL . 29.0 m-85 -70.23 127.95 91.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 1.41 110.936 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.45 -21.3 67.43 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.367 2.045 . . . . 1.32 112.131 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -82.58 -26.51 32.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 2.01 111.03 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -77.21 -28.68 53.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.391 -0.368 . . . . 1.94 110.477 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 44' ' ' TYR . 6.2 t -65.07 -32.81 59.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.88 110.748 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.54 -29.44 69.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 2.44 111.099 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.23 -35.67 74.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 2.12 110.993 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.3 mt -75.38 -36.91 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.47 111.045 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.1 t -54.99 -54.26 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 1.42 111.179 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.9 t -58.46 -47.75 83.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.93 111.277 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -60.86 -30.56 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 2.48 111.172 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -60.52 -35.43 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 1.77 111.116 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 3.02 111.12 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.89 0.376 . . . . 1.51 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.89 99.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.39 111.461 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.9 m -64.44 -40.53 95.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.66 110.921 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.65 -44.41 96.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 1.79 110.809 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.6 -43.32 90.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 1.72 110.48 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -57.63 -47.46 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.5 110.745 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.516 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -63.69 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.65 110.956 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.35 -58.07 7.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 1.48 111.454 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.45 -49.34 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.52 111.946 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 36.6 t90 -70.52 -23.97 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.504 -0.316 . . . . 0.63 111.08 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -124.33 60.9 0.6 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 1.08 112.477 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.03 -37.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 1.54 112.549 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -119.85 -19.55 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 1.99 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -84.76 -28.76 26.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 1.53 110.645 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 53.34 51.58 15.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 3.1 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.403 ' CB ' HD12 ' A' ' 13' ' ' ILE . 1.1 m-70 -77.62 179.71 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 2.8 111.126 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.4 p -95.44 146.91 24.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.726 -0.67 . . . . 1.17 111.123 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.671 HG12 HG13 ' A' ' 100' ' ' VAL . 16.0 t -64.13 -25.06 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 1.25 110.863 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -41.45 89.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 2.24 110.917 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 m -55.24 -37.8 67.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.71 111.064 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.92 -39.72 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.5 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.43 -62.55 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.73 111.203 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.2 -16.42 44.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.67 111.629 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.425 HD13 HG13 ' A' ' 41' ' ' VAL . 25.7 tp -65.8 -54.65 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.23 111.114 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -58.14 -35.4 71.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.46 111.222 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -38.8 59.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 1.59 110.875 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.77 -40.77 84.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 2.31 110.96 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 3.02 56.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 1.57 110.93 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm 59.84 34.97 21.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.515 . . . . 2.87 111.332 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.833 HD13 HD11 ' A' ' 28' ' ' LEU . 12.8 mt -90.73 68.73 6.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.31 110.775 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -54.59 -40.08 68.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 1.84 111.347 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -57.78 -47.45 82.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.315 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.55 -42.13 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.42 111.481 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.451 ' O ' HG13 ' A' ' 96' ' ' ILE . 13.7 mtm -60.27 -42.16 94.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 1.29 111.592 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -59.51 -17.03 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.052 0.39 . . . . 3.39 112.052 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.869 HD13 HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -73.81 -24.02 59.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.65 0.262 . . . . 0.79 111.423 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -109.94 -93.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.565 -0.289 . . . . 1.29 110.761 179.686 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.8 OUTLIER 65.72 -74.05 0.06 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.769 0.318 . . . . 2.85 111.665 179.583 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.94 8.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.13 0.418 . . . . 1.64 112.13 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.444 ' H ' ' C ' ' A' ' 97' ' ' LYS . 83.8 m-85 -109.61 -16.54 13.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 1.13 110.891 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.671 HG13 HG12 ' A' ' 77' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 1.37 110.858 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 ptt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.9 0.381 . . . . 1.23 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB3' ' HG2' ' A' ' 14' ' ' ARG . . . -52.53 148.17 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.015 -0.538 . . . . 0.62 111.323 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mt -58.47 -20.93 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.467 -0.788 . . . . 0.65 110.819 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.54 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 2.5 ptm180 -56.19 -18.31 9.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 2.82 111.099 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -28.04 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 1.51 110.411 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -50.18 104.5 0.43 Allowed Pre-proline 0 C--O 1.231 0.124 0 CA-C-N 116.006 -0.543 . . . . 0.93 110.363 179.515 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HB2' HG23 ' A' ' 20' ' ' VAL . 26.9 Cg_exo -64.26 125.29 14.85 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.622 2.215 . . . . 0.48 112.653 -179.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 1.1 mt -64.0 -45.73 80.42 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.838 -0.619 . . . . 1.64 111.876 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 94.1 Cg_exo -44.22 -34.58 7.1 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.363 2.042 . . . . 0.59 112.808 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 17' ' ' PRO . 2.3 t -86.38 -43.99 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.65 110.992 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.637 HH21 HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -59.33 -26.12 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 3.62 110.891 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.49 -30.9 65.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.784 -0.643 . . . . 0.48 111.513 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -27.1 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 2.14 110.969 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.79 ' HB2' HD22 ' A' ' 95' ' ' LEU . 57.7 tp -88.15 -35.24 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 1.51 110.976 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.5 m -60.12 -42.54 94.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.55 110.339 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.33 96.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.851 -0.613 . . . . 0.52 111.086 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -60.45 -52.81 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.72 111.168 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.4 mm? -59.93 -24.62 64.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.065 -0.516 . . . . 1.09 111.414 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -32.79 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 1.2 110.802 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.62 -44.66 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.68 110.974 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -20.1 62.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 1.16 110.809 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 52.23 73.76 0.31 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 2.03 111.023 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.66 26.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.54 111.195 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.755 ' HA ' HD12 ' A' ' 37' ' ' LEU . 59.9 p-90 -66.63 -36.88 83.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.5 110.964 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -63.19 -35.95 82.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 2.32 110.675 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.97 -29.18 63.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.534 . . . . 3.29 110.626 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 34' ' ' TRP . 18.8 mt -65.09 -58.69 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.65 110.463 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.18 -55.9 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.41 111.235 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -61.14 -33.15 72.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.51 111.736 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.67 67.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.865 0.364 . . . . 0.47 111.071 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.98 4.53 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.5 110.57 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.452 ' HZ3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 61.67 110.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.674 -0.693 . . . . 2.14 111.37 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.98 156.07 46.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 1.03 110.797 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.39 157.52 89.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 1.41 110.728 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.22 -27.88 28.51 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.497 2.132 . . . . 1.32 111.728 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -31.73 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 2.01 110.326 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -78.64 -43.54 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 1.94 110.346 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HA ' HD12 ' A' ' 51' ' ' ILE . 53.0 t -63.02 -48.03 89.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.88 110.663 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.22 -40.48 90.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 2.44 110.292 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -27.98 67.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 2.12 111.009 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.486 HG23 ' HB3' ' A' ' 64' ' ' GLU . 24.4 mt -82.62 -56.21 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.47 111.198 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.4 p -52.84 -35.61 57.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 1.42 111.152 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 t -59.17 -68.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.93 110.864 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -62.3 -15.23 46.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 2.48 111.375 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 3.9 ttmt -58.32 -55.27 37.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.83 0.348 . . . . 1.77 110.945 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 3.02 111.201 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.818 0.342 . . . . 1.51 110.879 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.29 -41.01 96.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.39 111.295 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 m -65.71 -42.09 91.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.66 110.767 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.36 -49.98 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 1.79 110.824 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.486 ' HB3' HG23 ' A' ' 51' ' ' ILE . 4.1 tp10 -64.71 -38.87 92.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 1.72 110.603 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -58.01 -46.3 85.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.969 -0.56 . . . . 0.5 110.606 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HG ' HH11 ' A' ' 21' ' ' ARG . 3.6 mm? -64.09 -29.67 70.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.65 110.885 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.37 -20.3 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 1.48 111.198 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.6 mt -105.06 -57.9 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.355 -0.384 . . . . 0.52 111.516 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -71.23 -4.54 26.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.438 . . . . 0.63 111.036 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -131.02 44.03 1.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 1.08 112.563 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.61 -39.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 1.54 112.581 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -76.33 -45.98 29.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 1.99 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -98.49 -21.02 16.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 1.53 111.017 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 54.35 70.83 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 3.1 110.8 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -178.52 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 2.8 110.992 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.5 p -96.35 151.51 19.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 1.17 111.231 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.3 m -63.62 -24.87 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 1.25 110.688 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -63.62 -50.58 68.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 2.24 110.664 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -55.43 -33.31 63.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.71 111.064 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.618 HD21 HH21 ' A' ' 21' ' ' ARG . 50.0 tp -61.03 -45.89 92.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.076 -0.511 . . . . 0.5 110.815 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -61.0 -50.63 72.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.73 110.8 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.53 -22.03 64.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.67 111.37 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.9 tp -66.92 -54.5 21.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 1.23 111.086 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -58.07 -30.19 66.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.46 111.318 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -53.39 -32.72 50.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 1.59 111.029 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -43.46 91.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 2.31 110.88 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -92.88 -1.23 56.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 1.57 111.0 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm 56.66 46.99 19.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.111 -0.495 . . . . 2.87 111.055 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.505 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 57.8 mt -90.65 71.97 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 1.31 111.001 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -54.19 -28.43 40.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 1.84 111.195 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.3 -53.43 19.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.98 111.163 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.43 -32.62 50.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.42 111.621 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.5 mtt -58.79 -52.24 66.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 1.29 111.403 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -57.97 -17.79 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 3.39 111.768 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.79 HD22 ' HB2' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -83.91 -28.18 28.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.639 0.256 . . . . 0.79 111.343 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.637 HG21 HH21 ' A' ' 21' ' ' ARG . 1.1 pt -113.24 7.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.91 0.386 . . . . 1.29 111.108 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -19.85 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 2.85 110.882 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.97 -5.01 11.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.061 -0.518 . . . . 1.64 111.355 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -107.2 -43.49 4.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.508 -0.315 . . . . 1.13 111.192 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.403 -0.362 . . . . 1.37 111.071 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.65 0.262 . . . . 1.23 110.836 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HA ' ' HA ' ' A' ' 76' ' ' THR . . . -50.04 151.58 1.91 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.142 -0.481 . . . . 0.62 110.866 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.645 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.1 mt -49.95 -28.5 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.753 -0.658 . . . . 0.65 110.786 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.92 -43.06 76.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.064 -0.516 . . . . 2.82 110.424 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -35.73 67.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 1.51 110.429 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.431 HD13 ' HD2' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -53.11 115.59 7.79 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.93 110.828 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' HD13 ' A' ' 16' ' ' LEU . 33.5 Cg_exo -59.48 121.35 9.74 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.357 2.038 . . . . 0.48 112.083 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -57.04 -47.5 98.99 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.102 -0.499 . . . . 1.64 111.538 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 83.9 Cg_exo -48.72 -34.75 28.37 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.372 2.048 . . . . 0.59 112.716 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.3 t -85.54 -32.2 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.44 -0.345 . . . . 0.65 110.943 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.651 HH22 HG21 ' A' ' 96' ' ' ILE . 6.8 tpm_? -60.5 -32.28 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 3.62 110.898 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.21 -15.83 11.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.975 -0.557 . . . . 0.48 111.691 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.468 ' OE1' HD21 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -66.25 -56.1 12.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.443 -0.344 . . . . 2.14 110.857 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.648 HD23 HD13 ' A' ' 95' ' ' LEU . 1.6 tm? -64.07 -37.42 87.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 1.51 110.587 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.3 m -58.43 -45.9 87.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.936 0.398 . . . . 0.55 110.283 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.05 82.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.56 . . . . 0.52 110.647 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -61.69 -60.69 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.673 -0.694 . . . . 0.72 111.114 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 24' ' ' LEU . 1.3 mt -59.47 -26.37 65.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 1.09 111.638 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -54.59 -35.06 62.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.411 -0.359 . . . . 1.2 111.129 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.85 -38.49 79.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.68 111.04 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.06 -23.91 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 1.16 111.082 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.74 67.77 0.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 2.03 110.909 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.2 m -137.16 21.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.54 111.155 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.711 ' HA ' HD12 ' A' ' 37' ' ' LEU . 29.3 p-90 -61.67 -33.07 73.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.5 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.92 -33.52 75.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 2.32 110.813 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -33.33 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 3.29 110.875 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 34' ' ' TRP . 4.9 mt -64.77 -58.4 6.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.65 110.715 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.79 -55.86 12.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 0.41 111.545 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 m -60.31 -40.22 89.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.51 111.47 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.53 66.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.423 -0.353 . . . . 0.47 111.175 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.3 m -104.23 3.9 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.5 111.003 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 tptt 58.74 93.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.929 -0.578 . . . . 2.14 110.995 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.81 158.01 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 1.03 110.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 87.3 m-85 -69.15 130.88 90.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.41 110.677 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 47.9 Cg_exo -57.06 -19.95 35.19 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.48 2.12 . . . . 1.32 112.354 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.99 -31.4 39.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 2.01 110.747 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -78.2 -32.12 49.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 1.94 110.798 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.402 ' HA ' HD12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -64.04 -37.33 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.085 0.469 . . . . 0.88 110.285 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -40.59 90.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.582 -0.736 . . . . 2.44 110.587 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -40.39 87.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 2.12 110.946 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' ' 64' ' ' GLU . 17.3 mt -67.15 -48.3 79.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.47 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 t -53.78 -33.03 54.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 1.42 111.067 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -62.1 2.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.93 111.019 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -61.27 -36.28 79.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 2.48 111.069 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -61.09 -34.05 74.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.77 111.082 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 3.02 111.051 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.942 0.401 . . . . 1.51 110.847 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.689 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -60.72 -29.36 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.555 . . . . 0.39 111.263 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -28.44 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.66 110.87 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -61.07 -51.42 69.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 1.79 110.585 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.486 ' HB2' HG23 ' A' ' 51' ' ' ILE . 10.4 mm-40 -65.61 -40.46 92.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 1.72 110.595 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.21 -46.61 82.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.5 110.663 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.47 -31.4 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.65 111.014 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.31 -51.74 64.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 1.48 111.343 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.8 mt -72.96 -50.54 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.52 111.743 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -70.74 -11.15 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.63 111.091 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.645 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -116.31 54.85 0.57 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 1.08 112.482 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -171.16 -37.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.815 -0.707 . . . . 1.54 112.471 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.16 -9.99 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 1.99 110.801 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -111.47 -20.21 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 1.53 110.802 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m120 57.33 31.21 19.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.077 -0.511 . . . . 3.1 111.412 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.401 ' O ' HD12 ' A' ' 13' ' ' ILE . 7.2 m-70 -77.85 143.5 37.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 2.8 110.773 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 8.5 p -89.13 178.37 6.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 1.17 111.106 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 t -63.63 -23.06 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 1.25 111.108 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -57.9 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 2.24 110.806 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.7 m -53.6 -36.26 61.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.71 110.937 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.1 tp -61.74 -39.46 91.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.933 -0.576 . . . . 0.5 110.736 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.658 ' HB2' HG21 ' A' ' 100' ' ' VAL . 25.8 t80 -60.82 -48.78 80.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.027 -0.533 . . . . 0.73 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.01 -25.68 67.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.67 111.301 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.511 HD22 HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -66.02 -51.69 56.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 1.23 110.885 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -57.84 -34.55 69.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.46 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -53.58 -37.47 62.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 1.59 111.107 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -41.05 84.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 2.31 111.109 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -92.6 1.01 57.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 1.57 111.183 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? 56.94 45.82 20.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.426 . . . . 2.87 111.179 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.475 HD13 HD21 ' A' ' 28' ' ' LEU . 30.8 mt -89.32 80.3 6.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 1.31 110.75 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.39 -32.61 50.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 1.84 111.311 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.06 -56.45 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 1.98 111.245 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.56 -38.59 55.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.42 111.436 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.8 mtp -59.68 -62.3 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.391 -0.368 . . . . 1.29 110.829 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -60.63 -12.61 10.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.514 . . . . 3.39 111.258 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.648 HD13 HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -74.1 -26.34 60.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.79 111.334 -179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.651 HG21 HH22 ' A' ' 21' ' ' ARG . 0.7 OUTLIER -132.5 71.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.871 0.367 . . . . 1.29 111.522 -179.653 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.25 -50.9 4.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 2.85 110.927 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -4.28 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 1.64 111.575 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -107.34 -23.12 12.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 1.13 111.25 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.658 HG21 ' HB2' ' A' ' 81' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 1.37 111.792 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 ptt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.643 0.258 . . . . 1.23 110.757 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 75' ' ' HIS . . . -50.91 155.06 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.62 111.125 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.632 ' HB ' ' HB2' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -53.94 -27.55 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.65 110.747 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -37.35 71.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.026 0.441 . . . . 2.82 110.232 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -35.38 66.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.793 -0.64 . . . . 1.51 110.587 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.562 HD21 HG22 ' A' ' 77' ' ' VAL . 3.7 mm? -52.07 117.56 10.35 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.808 -0.633 . . . . 0.93 110.858 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.6 117.69 4.43 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.3 2.0 . . . . 0.48 111.991 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.598 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -61.74 -49.83 84.48 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.308 -0.406 . . . . 1.64 111.844 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 12.9 Cg_endo -56.0 -30.44 78.19 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.217 1.945 . . . . 0.59 112.688 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -86.11 -42.89 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.65 111.053 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HE ' ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -61.04 -31.72 71.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 3.62 110.906 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' HA ' ' HB2' ' A' ' 25' ' ' CYS . . . -58.09 -14.09 6.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.48 111.406 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -67.44 -52.03 44.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 2.14 111.083 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.692 HD13 HD22 ' A' ' 95' ' ' LEU . 46.9 tp -77.69 -25.26 49.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.491 -0.322 . . . . 1.51 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -59.54 -42.82 93.2 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.662 -0.496 . . . . 0.55 109.662 179.486 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.21 94.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.548 -0.751 . . . . 0.52 110.54 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.464 ' HB3' HD12 ' A' ' 24' ' ' LEU . 83.6 t60 -59.57 -54.76 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.283 -0.872 . . . . 0.72 111.283 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.13 -41.44 79.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 1.09 111.05 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.32 -24.51 59.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 1.2 110.679 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.46 -34.03 75.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.68 110.598 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.98 2.71 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.84 -0.618 . . . . 1.16 110.619 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 61.24 43.48 10.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.826 -0.625 . . . . 2.03 110.9 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.671 ' HB ' ' HG2' ' A' ' 36' ' ' GLN . 17.3 m -134.59 61.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.54 111.356 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.534 ' HA ' HD12 ' A' ' 37' ' ' LEU . 51.1 p-90 -87.71 -27.81 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.354 -0.61 . . . . 0.5 109.354 178.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -26.98 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.27 -0.877 . . . . 2.32 110.795 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.671 ' HG2' ' HB ' ' A' ' 33' ' ' VAL . 1.3 pp0? -69.15 -33.12 72.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.711 -0.677 . . . . 3.29 111.262 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 34' ' ' TRP . 1.2 mt -69.63 -60.91 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.789 0.328 . . . . 0.65 110.868 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.64 -55.94 16.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.41 111.621 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.1 m -60.42 -34.34 73.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.51 111.964 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -54.26 -35.76 62.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.809 0.338 . . . . 0.47 111.115 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG11 ' NE1' ' A' ' 69' ' ' TRP . 25.9 m -106.22 2.61 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.5 110.836 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.6 96.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.862 -0.608 . . . . 2.14 110.937 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -114.02 157.35 22.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.03 111.073 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.448 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 76.1 m-85 -68.96 132.09 90.6 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 1.41 110.56 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.9 -17.35 23.53 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.558 2.172 . . . . 1.32 112.666 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.96 -33.77 33.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 2.01 110.594 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.448 ' HG3' ' HB2' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -77.62 -29.89 52.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 1.94 110.267 179.454 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.04 -31.16 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.917 -0.583 . . . . 0.88 110.625 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.17 -36.8 75.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 2.44 110.893 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -49.44 77.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 2.12 111.287 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.2 mt -61.22 -52.19 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.47 111.514 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -32.71 49.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 1.42 111.551 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -58.7 -69.02 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.385 -0.37 . . . . 0.93 111.418 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.18 -29.41 69.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 2.48 111.239 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 9.7 ttpt -59.42 -42.83 92.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 1.77 111.213 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 3.02 111.154 -179.733 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.758 0.313 . . . . 1.51 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.75 -39.35 91.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.39 111.296 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.3 m -64.74 -35.8 82.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.66 111.234 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -60.69 -54.7 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 1.79 111.043 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.73 -40.62 95.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 1.72 110.765 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.84 -43.57 77.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.922 -0.581 . . . . 0.5 110.995 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.484 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -65.84 -38.3 88.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.65 111.54 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.29 -20.21 64.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 1.48 112.138 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.12 -36.87 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.815 0.34 . . . . 0.52 111.703 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.494 ' NE1' HG11 ' A' ' 41' ' ' VAL . 35.6 t90 -71.87 -52.53 16.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.26 -0.427 . . . . 0.63 111.118 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.94 73.73 1.91 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 1.08 112.543 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.45 -33.62 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.861 -0.685 . . . . 1.54 112.405 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.81 30.91 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.979 0.419 . . . . 1.99 110.714 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 74' ' ' ASN . 27.4 m-85 -143.71 32.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.93 -0.577 . . . . 1.53 110.681 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 76' ' ' THR . 3.8 m-80 75.68 -23.94 0.23 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.703 -0.681 . . . . 3.1 111.195 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.632 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 44.9 p-80 37.17 -136.6 0.05 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.167 -0.47 . . . . 2.8 112.247 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 74' ' ' ASN . 9.6 p 80.36 151.66 0.11 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.126 0.97 . . . . 1.17 111.171 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.562 HG22 HD21 ' A' ' 16' ' ' LEU . 2.2 t -60.78 -49.25 85.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.616 -0.72 . . . . 1.25 111.915 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -48.99 -44.1 40.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.86 0.362 . . . . 2.24 110.466 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 m -57.51 -41.75 81.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.899 -0.591 . . . . 0.71 110.993 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 84' ' ' PHE . 52.8 tp -61.35 -39.41 90.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.061 -0.518 . . . . 0.5 111.016 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -60.6 -33.91 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.73 110.759 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.79 86.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.67 111.221 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.65 -51.46 59.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 1.23 111.06 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.834 ' HB3' HD11 ' A' ' 89' ' ' LEU . 11.2 m-30 -56.85 -60.94 2.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.018 -0.537 . . . . 0.46 111.211 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -51.14 -30.49 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.725 0.298 . . . . 1.59 111.526 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -59.92 -35.57 75.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 2.31 111.677 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 36' ' ' GLN . 13.8 tp -92.17 3.42 55.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.492 -0.322 . . . . 1.57 111.702 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? 55.11 51.33 13.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 2.87 110.987 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.834 HD11 ' HB3' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -89.57 72.26 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.31 111.005 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.25 -18.98 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 1.84 112.206 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 1.3 m120 -89.18 -60.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.695 0.283 . . . . 1.98 111.53 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.732 ' HB3' HD22 ' A' ' 89' ' ' LEU . . . -53.6 -23.88 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.42 111.764 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.37 -59.44 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 1.29 111.52 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.514 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 5.6 ptm180 -58.1 -16.51 13.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 3.39 111.979 -179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.692 HD22 HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -73.17 -38.93 66.02 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.558 0.207 . . . . 0.79 111.558 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.424 HG23 HD22 ' A' ' 24' ' ' LEU . 2.1 pt -114.6 10.25 7.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.757 0.313 . . . . 1.29 111.141 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.514 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -68.63 -29.85 68.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 2.85 110.567 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.63 2.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.928 -0.578 . . . . 1.64 111.61 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -102.47 -40.02 6.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.82 0.343 . . . . 1.13 110.936 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 1.37 110.493 179.341 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 112.489 -0.244 . . . . 14.04 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.25 -28.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 13.39 110.987 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -103.53 134.02 47.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 12.87 110.973 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -139.07 -1.47 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 11.46 110.796 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.78 3.74 2.13 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.948 -0.569 . . . . 7.75 111.405 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 49.44 62.28 2.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.247 -0.433 . . . . 7.53 111.103 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.12 3.49 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 5.67 110.772 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.07 164.92 20.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 3.86 110.78 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.2 107.6 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.386 -0.37 . . . . 4.31 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.416 ' HB ' ' HB ' ' A' ' 76' ' ' THR . 1.4 m -110.92 163.66 13.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.069 -0.514 . . . . 1.93 110.885 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.0 ptm -56.14 122.39 11.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 1.23 111.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.02 144.6 11.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.0 -0.545 . . . . 0.62 111.239 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.533 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.3 mt -57.34 -29.86 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.636 . . . . 0.65 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -29.12 54.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 2.82 110.518 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tt -78.89 -36.43 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.827 -0.624 . . . . 1.51 110.42 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.32 111.7 2.54 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.888 -0.597 . . . . 0.93 110.915 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.52 120.12 7.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.341 2.027 . . . . 0.48 112.176 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.614 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -57.43 -49.45 93.81 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.144 -0.48 . . . . 1.64 111.808 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.7 Cg_endo -53.86 -23.01 25.72 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.209 1.94 . . . . 0.59 112.365 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.454 HG11 ' OH ' ' A' ' 99' ' ' TYR . 85.3 t -86.23 -42.06 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.65 110.807 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -60.24 -26.3 66.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 3.62 110.951 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -24.38 50.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.48 111.294 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -43.28 80.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 2.14 110.953 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tt -75.3 -42.15 55.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.51 110.923 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.7 m -57.57 -45.49 85.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.021 0.438 . . . . 0.55 110.347 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.15 90.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.52 110.832 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -62.96 -60.57 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.7 -0.682 . . . . 0.72 111.01 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.08 -23.27 61.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 1.09 111.184 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -60.49 -37.49 81.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 1.2 111.052 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.71 -29.67 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.68 110.994 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -16.26 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.16 111.034 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.06 53.94 9.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 2.03 110.967 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.41 32.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.54 111.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.708 ' HA ' HD12 ' A' ' 37' ' ' LEU . 40.5 p-90 -65.59 -38.11 88.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.5 110.856 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -29.31 70.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 2.32 110.943 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.548 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -72.03 -7.76 50.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 3.29 110.992 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.9 mt -93.97 -58.48 2.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.322 -0.399 . . . . 0.65 110.096 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 -56.08 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.41 111.109 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -61.34 -35.51 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.51 111.404 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -56.22 -34.29 66.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.513 -0.312 . . . . 0.47 111.356 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.3 m -102.05 4.82 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.396 -0.366 . . . . 0.5 110.896 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.46 102.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.893 -0.594 . . . . 2.14 111.13 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -132.7 157.59 44.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.03 110.997 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.451 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 39.3 m-85 -69.74 137.32 87.9 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 1.41 110.664 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 31.6 Cg_exo -59.97 -21.72 66.02 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.564 2.176 . . . . 1.32 112.471 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -68.41 -32.11 71.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.418 -0.355 . . . . 2.01 110.831 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -32.89 48.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 1.94 110.643 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.563 ' HA ' HD12 ' A' ' 51' ' ' ILE . 28.0 t -63.82 -32.68 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.88 110.925 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -46.56 89.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 2.44 111.055 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.85 -32.47 69.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 2.12 111.36 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 48' ' ' VAL . 16.3 mt -76.91 -47.98 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.47 111.212 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -54.09 -52.84 59.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 1.42 111.296 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -57.93 -41.01 81.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.93 111.245 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -41.34 97.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 2.48 111.21 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -60.12 -30.59 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 1.77 111.27 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.0 -30.91 68.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 3.02 111.162 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLY . 6.0 mtt180 -93.72 70.23 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 2.99 110.927 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ARG . . . 30.94 55.41 0.27 Allowed Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.657 -0.701 . . . . 2.05 113.517 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -129.94 -179.24 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.734 0.302 . . . . 5.55 111.104 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . 15.8 m -112.15 125.13 53.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 1.51 110.948 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.06 82.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.39 111.189 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -33.75 76.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.66 110.805 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.4 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 0.1 OUTLIER -60.67 -51.29 70.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 1.79 110.285 179.551 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.66 -38.2 88.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 1.72 110.406 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -56.63 -48.08 78.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.845 -0.616 . . . . 0.5 110.674 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.83 -34.27 77.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.65 110.891 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -64.0 -26.2 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 1.48 111.464 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.9 mt -94.98 -53.97 7.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.511 -0.313 . . . . 0.52 111.603 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -71.0 -11.57 61.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.63 111.008 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.533 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -130.4 58.63 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 1.08 112.474 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.34 -29.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.878 -0.677 . . . . 1.54 112.397 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -100.46 -44.01 6.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.861 0.362 . . . . 1.99 110.805 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -100.7 -26.78 13.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 1.53 110.784 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 65.44 145.64 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.005 -0.543 . . . . 3.1 111.361 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.401 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -161.41 -152.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 2.8 110.46 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.416 ' HB ' ' HB ' ' A' ' 10' ' ' THR . 73.4 p -144.76 158.91 43.6 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.835 0.35 . . . . 1.17 111.064 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.01 -17.81 21.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 1.25 111.317 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -63.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 2.24 110.919 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 m -55.87 -34.01 65.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 0.71 111.283 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 57.7 tp -61.22 -33.85 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.5 111.232 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.35 -60.01 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.73 111.177 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.12 -16.14 40.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.67 111.721 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 32.6 tp -66.29 -54.21 27.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.7 0.286 . . . . 1.23 111.033 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -58.56 -26.59 63.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.46 111.218 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -54.73 -18.28 4.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 1.59 111.177 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.3 -57.47 12.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 2.31 111.344 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mt -92.87 10.52 30.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 1.57 111.252 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt 54.4 51.24 14.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 2.87 110.874 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -89.1 79.0 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 1.31 111.104 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -54.89 -27.78 45.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.125 -0.489 . . . . 1.84 110.978 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 27.7 m120 -68.22 -56.12 9.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.98 110.916 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.14 -33.69 58.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 0.42 111.221 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -66.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 1.29 111.238 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -58.28 -17.02 16.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 3.39 111.402 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -40.06 89.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.472 -0.331 . . . . 0.79 110.962 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.83 49.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 1.29 111.285 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 -33.23 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 2.85 110.677 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.18 1.31 3.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 1.64 111.347 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.454 ' OH ' HG11 ' A' ' 20' ' ' VAL . 78.9 m-85 -110.79 -12.47 14.28 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.753 0.279 . . . . 1.13 111.753 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.2 m -97.54 170.29 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.758 0.313 . . . . 1.37 110.998 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.7 m -54.26 161.06 1.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 2.53 111.246 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.15 -5.78 48.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.062 -0.517 . . . . 4.26 110.863 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -5.48 18.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 3.15 110.949 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 104' ' ' LEU . 4.2 mm? -83.86 -11.7 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.91 110.746 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.419 ' HA ' HD12 ' A' ' 108' ' ' ILE . 2.2 m-70 -67.3 84.63 0.15 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 3.15 110.774 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.18 -40.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 3.43 110.997 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -90.74 -27.64 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.072 0.463 . . . . 2.46 110.349 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 105' ' ' HIS . 3.4 mt -52.4 126.33 37.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.459 -0.791 . . . . 2.67 111.267 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 108' ' ' ILE . 25.2 Cg_exo -62.45 134.86 50.32 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.447 2.098 . . . . 3.11 112.174 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.186 -0.911 . . . . 7.27 110.963 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.533 -0.227 . . . . 14.04 112.533 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.77 115.45 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 13.39 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -66.78 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 12.87 110.894 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.7 ttt 55.49 84.62 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 11.46 110.991 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 57.38 -165.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 7.75 110.848 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -157.42 152.37 25.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 7.53 111.04 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.84 151.3 26.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 5.67 110.799 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.49 -165.93 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 3.86 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.72 26.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 4.31 110.867 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.496 ' HB ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -145.17 155.02 43.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 1.93 111.228 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.6 ptm -57.78 129.38 41.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.23 111.173 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HA ' HG22 ' A' ' 76' ' ' THR . . . -51.91 155.27 1.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.08 -0.509 . . . . 0.62 111.117 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.417 HG21 ' HA3' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -56.19 -32.33 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.65 110.692 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -56.82 -34.86 68.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.52 . . . . 2.82 110.315 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.22 -40.47 96.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.88 -0.6 . . . . 1.51 110.491 179.49 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -53.5 112.14 3.41 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.824 -0.625 . . . . 0.93 110.822 179.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD2' HD13 ' A' ' 16' ' ' LEU . 37.7 Cg_exo -57.84 120.83 8.98 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.254 1.969 . . . . 0.48 112.007 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.41 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 3.6 mt -54.12 -48.26 94.74 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.157 -0.474 . . . . 1.64 111.679 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 73.1 Cg_exo -48.71 -29.37 14.38 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.228 1.952 . . . . 0.59 112.455 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.04 -35.87 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.65 111.065 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.488 ' NH1' HD21 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.59 -30.3 68.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 3.62 110.945 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -20.88 29.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.48 111.488 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -55.57 12.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 2.14 111.016 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.601 HD23 HD13 ' A' ' 95' ' ' LEU . 2.5 tm? -74.66 -30.77 61.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 1.51 110.815 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.7 m -59.01 -45.54 90.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.003 0.43 . . . . 0.55 110.458 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.1 99.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.823 -0.626 . . . . 0.52 110.847 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -59.83 -54.75 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.531 -0.759 . . . . 0.72 111.021 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 24' ' ' LEU . 3.7 mm? -58.52 -29.27 66.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 1.09 110.938 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -72.01 -34.2 68.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.2 110.893 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.51 81.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.68 110.982 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.43 -8.76 55.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 1.16 110.91 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 53.68 63.76 2.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 2.03 111.16 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 m -137.26 19.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.54 111.142 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 20.5 p-90 -61.51 -35.62 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.5 110.926 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -63.22 -33.27 75.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 2.32 110.877 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.19 -31.19 65.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 3.29 110.909 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.44 -56.46 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.65 110.521 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -58.36 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 0.41 111.431 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -60.36 -33.3 72.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.51 111.718 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.64 -34.28 64.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.46 -0.336 . . . . 0.47 111.445 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -104.58 5.55 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.5 111.104 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.85 94.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 2.14 111.024 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.94 161.79 28.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 1.03 110.795 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 47.7 m-85 -69.7 137.47 88.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 1.41 110.628 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 32.5 Cg_exo -58.66 -21.04 53.67 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.478 2.119 . . . . 1.32 112.349 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -30.31 65.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 2.01 110.577 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -78.41 -42.23 30.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 1.94 110.531 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 51' ' ' ILE . 21.1 t -63.98 -40.18 88.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.046 -0.525 . . . . 0.88 110.844 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -60.25 -40.0 88.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.92 -0.582 . . . . 2.44 110.886 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.87 67.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 2.12 110.968 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 48' ' ' VAL . 21.5 mt -73.13 -49.61 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.47 111.159 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -33.79 58.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 1.42 111.109 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -68.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.93 111.11 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -61.1 -24.28 66.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 2.48 111.044 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -60.78 -34.42 74.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 1.77 111.012 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -60.18 -34.33 73.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 3.02 111.038 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -149.2 75.22 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 2.99 110.963 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.03 -104.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.865 -0.683 . . . . 2.05 112.376 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -144.34 -70.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.733 0.301 . . . . 5.55 110.894 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.1 139.16 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 1.51 110.883 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.97 90.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.39 111.385 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 m -64.24 -30.05 71.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.66 111.014 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.9 -55.89 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 1.79 110.889 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -64.98 -37.87 89.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 1.72 110.736 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -57.62 -46.54 83.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.5 110.869 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.3 -36.86 85.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.65 111.213 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.88 -29.11 70.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 1.48 111.634 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mt -88.41 -54.81 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.52 111.718 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -69.92 -15.1 63.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.63 110.926 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -117.7 58.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 1.08 112.551 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -166.26 -32.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.73 -0.748 . . . . 1.54 112.422 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -113.92 11.62 17.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 1.99 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -121.44 -23.34 5.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 1.53 110.85 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 56.2 45.35 23.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.143 -0.48 . . . . 3.1 111.244 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -77.5 -162.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 2.8 110.684 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 12' ' ' ALA . 30.4 p -144.99 172.56 12.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.391 -0.368 . . . . 1.17 110.707 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.496 HG22 ' HB ' ' A' ' 10' ' ' THR . 29.3 m -63.94 -17.36 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 1.25 111.15 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.41 -63.63 1.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 2.24 110.946 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -53.97 -35.51 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.71 111.177 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.488 HD21 ' NH1' ' A' ' 21' ' ' ARG . 31.8 tp -60.77 -50.99 71.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.5 110.949 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -61.38 -54.43 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.73 111.309 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.447 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -60.28 -23.84 64.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.67 111.729 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.36 -44.93 81.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.563 -0.29 . . . . 1.23 111.161 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -58.85 -32.52 69.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.46 111.225 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.447 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -53.35 -43.3 67.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 1.59 111.109 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -60.0 -30.94 69.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 2.31 111.177 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.08 -6.57 47.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 1.57 110.941 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt 57.03 43.0 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 2.87 111.17 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.6 mt -89.28 80.07 6.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 1.31 110.897 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -54.88 -34.95 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 1.84 111.148 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.64 -55.97 8.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 1.98 110.931 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.63 47.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 0.42 111.126 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 mtm -58.62 -66.53 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 1.29 110.858 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.463 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 7.2 ptm180 -58.77 -21.73 56.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.142 -0.481 . . . . 3.39 110.8 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.601 HD13 HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.36 -35.11 79.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.79 110.975 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.447 HG22 HH22 ' A' ' 21' ' ' ARG . 1.8 pt -118.21 25.92 4.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 1.29 111.094 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -87.45 76.66 8.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.089 -0.505 . . . . 2.85 111.012 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -176.4 -19.63 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 1.64 111.556 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.464 ' O ' HG21 ' A' ' 77' ' ' VAL . 56.2 m-85 -104.04 3.7 33.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.716 0.293 . . . . 1.13 111.045 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -175.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 1.37 111.225 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.5 t -54.29 154.6 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 2.53 111.224 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -81.85 -5.36 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 4.26 110.988 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.05 -18.8 65.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 3.15 110.95 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.409 HD13 ' HZ1' ' A' ' 97' ' ' LYS . 1.5 mt -84.78 -16.19 42.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 1.91 110.978 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -70.19 79.43 0.52 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.423 -0.353 . . . . 3.15 110.654 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.23 7.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.422 -0.354 . . . . 3.43 111.596 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -153.12 12.96 0.49 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.019 -0.272 . . . . 2.46 111.68 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.4 113.73 8.26 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.754 -0.203 . . . . 2.67 110.616 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.82 139.93 84.49 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.388 2.059 . . . . 3.11 112.452 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HD3' HH11 ' A' ' 110' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.211 -0.9 . . . . 7.27 111.027 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.508 -0.237 . . . . 14.04 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.82 123.89 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.829 0.347 . . . . 13.39 111.145 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.9 t60 61.65 105.06 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.013 -0.54 . . . . 12.87 111.096 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 29.6 mtt -90.84 -72.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 11.46 110.913 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 p -125.8 117.54 23.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 7.75 110.97 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -73.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 7.53 111.013 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.71 168.77 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 5.67 110.901 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 57.27 86.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 3.86 110.889 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -97.16 120.42 37.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 4.31 111.011 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.87 164.17 13.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 1.93 111.015 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.9 ptm -57.11 127.49 32.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.155 -0.475 . . . . 1.23 110.895 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.77 145.43 9.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.62 111.128 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.691 HD12 ' HB3' ' A' ' 75' ' ' HIS . 1.4 mt -55.72 -26.72 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.65 110.739 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -54.63 -38.94 67.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 2.82 110.606 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -40.12 94.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 1.51 110.782 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD23 HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -51.42 108.75 1.13 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.024 -0.534 . . . . 0.93 111.08 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.21 128.8 28.65 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.349 2.033 . . . . 0.48 112.329 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.612 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -62.45 -49.9 81.45 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.173 -0.467 . . . . 1.64 111.685 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.1 Cg_endo -53.35 -30.41 52.34 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.142 1.894 . . . . 0.59 112.366 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.25 -37.82 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.65 110.79 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' HE ' ' HB3' ' A' ' 66' ' ' LEU . 4.7 ttp180 -61.06 -34.4 74.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.994 -0.548 . . . . 3.62 110.787 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -24.12 49.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 0.48 111.223 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -67.14 -46.45 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 2.14 110.576 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD21 ' CE2' ' A' ' 84' ' ' PHE . 37.6 tp -72.4 -37.89 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 1.51 110.651 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.7 m -59.59 -39.42 84.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.55 110.188 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.92 99.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 0.52 110.515 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -60.07 -51.33 70.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.451 -0.795 . . . . 0.72 110.683 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.58 -36.4 76.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.847 -0.615 . . . . 1.09 111.077 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.0 -32.97 74.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 1.2 110.899 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.53 -39.79 81.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.68 111.132 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -9.88 58.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 1.16 111.05 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 55.12 57.06 5.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 2.03 110.979 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.85 31.27 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.54 110.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.63 ' HA ' HD12 ' A' ' 37' ' ' LEU . 49.1 p-90 -70.1 -35.93 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.5 110.87 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.6 -30.32 71.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 2.32 110.874 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -71.96 -29.36 64.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 3.29 110.861 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 34' ' ' TRP . 13.1 mt -65.65 -59.66 3.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.368 -0.378 . . . . 0.65 110.263 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.03 -52.87 38.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 0.41 111.194 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -61.28 -35.74 78.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.51 111.397 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.36 -33.27 65.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.4 -0.364 . . . . 0.47 111.047 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.517 HG23 ' HG ' ' A' ' 43' ' ' LEU . 35.6 m -103.39 1.57 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.5 110.585 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.53 93.08 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.685 -0.688 . . . . 2.14 111.346 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.517 ' HG ' HG23 ' A' ' 41' ' ' VAL . 48.9 mt -117.95 156.03 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 1.03 110.69 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' VAL . 62.7 m-85 -69.86 128.77 91.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 1.41 110.817 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.56 -24.04 34.73 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.392 2.061 . . . . 1.32 112.437 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -37.97 68.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.429 . . . . 2.01 110.787 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -36.46 45.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.94 110.849 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' TYR . 16.3 t -64.87 -24.97 36.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.269 -0.423 . . . . 0.88 110.935 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.48 -32.62 70.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.976 -0.556 . . . . 2.44 111.016 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -59.64 -33.66 71.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 2.12 110.984 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.7 mt -75.91 -51.83 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.47 111.306 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -43.78 72.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 1.42 111.272 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -58.55 -57.17 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.93 111.368 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.59 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -61.85 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 2.48 110.83 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.705 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -60.46 -33.7 72.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.77 111.16 -179.686 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -13.71 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 3.02 111.185 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.97 92.59 1.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 2.99 110.885 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.06 -23.49 5.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 2.05 112.589 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.445 ' HB3' ' H ' ' A' ' 60' ' ' SER . 27.5 mmt180 56.86 -156.78 0.29 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.678 0.275 . . . . 5.55 110.825 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.445 ' H ' ' HB3' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 57.54 55.02 5.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.02 0.438 . . . . 1.51 110.794 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.705 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.22 -29.53 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.936 -0.575 . . . . 0.39 111.181 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -64.81 -36.13 83.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.66 111.054 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -53.01 62.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 1.79 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.59 ' HG3' ' HG2' ' A' ' 54' ' ' GLN . 15.2 mm-40 -64.39 -42.26 96.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 1.72 110.902 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -56.61 -44.3 81.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.5 110.797 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB3' ' HE ' ' A' ' 21' ' ' ARG . 1.1 mm? -65.35 -33.95 77.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.65 111.197 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.574 HD21 HD11 ' A' ' 18' ' ' LEU . 1.6 m-80 -63.52 -52.64 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 1.48 111.631 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 64' ' ' GLU . 3.3 mt -70.62 -50.11 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.52 111.872 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -70.11 -63.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.63 111.009 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.458 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -83.6 87.21 1.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.65 -0.786 . . . . 1.08 112.562 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 158.53 -34.03 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 1.54 112.526 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -96.36 -39.5 9.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 1.99 111.03 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -81.0 -2.16 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 1.53 110.946 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 55.49 47.52 20.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.028 0.442 . . . . 3.1 110.7 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.691 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -76.79 -163.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 2.8 111.019 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 61.6 p -143.64 161.98 37.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.37 -0.377 . . . . 1.17 110.854 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 99' ' ' TYR . 28.6 m -63.95 -14.55 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.995 -0.548 . . . . 1.25 111.787 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -58.27 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 2.24 111.12 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.0 m -53.75 -36.74 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.71 111.379 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.16 -38.21 85.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.5 110.852 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -61.41 -58.33 8.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.73 110.853 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.83 -18.03 58.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.938 -0.574 . . . . 0.67 111.437 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.602 HD22 HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -65.83 -59.96 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 1.23 111.028 -179.831 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.49 ' CE2' HD21 ' A' ' 24' ' ' LEU . 26.2 m-85 -57.86 -27.27 63.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.233 -0.44 . . . . 0.46 111.181 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -53.1 -35.68 59.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 1.59 110.934 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -40.71 84.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 2.31 110.892 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -93.33 -0.44 56.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.57 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 56.46 46.01 21.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 2.87 110.908 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 80.0 mt -89.3 76.47 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.31 110.917 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -33.87 60.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 1.84 111.022 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.91 -50.41 66.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 1.98 111.097 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.12 -37.67 61.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.42 111.381 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.0 mtt -59.91 -45.28 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 1.29 111.131 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -58.25 -20.76 44.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 3.39 111.637 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 92' ' ' ALA . 0.6 OUTLIER -76.88 -36.24 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.567 -0.288 . . . . 0.79 111.196 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.92 64.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 1.29 111.411 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -103.05 -49.12 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 2.85 110.648 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.82 10.35 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 1.64 111.318 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.504 ' O ' HG21 ' A' ' 77' ' ' VAL . 92.1 m-85 -113.99 -6.55 13.15 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.203 0.445 . . . . 1.13 112.203 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.583 ' HB ' HD13 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -96.87 -175.84 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.834 0.349 . . . . 1.37 111.137 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.2 157.65 1.82 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 2.53 111.442 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 17.9 pt-20 -75.62 -9.22 58.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.977 -0.556 . . . . 4.26 110.875 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.61 -25.2 65.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.292 -0.413 . . . . 3.15 110.743 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.583 HD13 ' HB ' ' A' ' 100' ' ' VAL . 2.9 mp -85.39 -9.33 57.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 1.91 111.271 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.477 ' HA ' HD13 ' A' ' 108' ' ' ILE . 3.9 m-70 -70.44 83.87 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 3.15 110.777 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.39 -32.28 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 3.43 110.943 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -90.34 -17.13 27.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 2.46 110.478 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.4 mp -51.75 127.67 34.46 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.646 -0.706 . . . . 2.67 111.003 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.584 ' HB2' ' HE ' ' A' ' 110' ' ' ARG . 90.3 Cg_endo -79.36 149.62 21.81 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.516 2.144 . . . . 3.11 112.516 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.584 ' HE ' ' HB2' ' A' ' 109' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.322 -0.846 . . . . 7.27 111.084 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.471 -0.252 . . . . 14.04 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -144.45 -39.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 13.39 110.891 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -44.89 63.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 12.87 110.813 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.7 mmm -110.93 -175.65 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 11.46 110.812 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t 55.69 70.09 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 7.75 111.08 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 58.97 -174.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.006 -0.543 . . . . 7.53 111.168 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.67 -170.43 2.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.063 -0.517 . . . . 5.67 110.831 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.26 136.54 57.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 3.86 110.797 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -90.03 68.12 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 4.31 111.137 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.58 136.55 54.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 1.93 111.082 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.423 ' HB2' HD13 ' A' ' 15' ' ' LEU . 4.7 ptm -56.85 123.75 16.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 1.23 111.185 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.35 153.02 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.62 110.654 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -53.7 -27.85 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 0.65 110.632 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -33.73 64.87 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.056 -0.52 . . . . 2.82 110.716 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 11' ' ' MET . 0.4 OUTLIER -67.89 -40.86 83.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.449 . . . . 1.51 110.493 179.625 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.06 109.58 1.55 Allowed Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 115.969 -0.56 . . . . 0.93 110.75 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.22 132.55 52.61 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.348 2.032 . . . . 0.48 112.266 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.9 tp -60.41 -47.86 95.31 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.036 -0.529 . . . . 1.64 111.59 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 72.8 Cg_exo -50.06 -30.98 26.45 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.123 1.882 . . . . 0.59 112.47 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 t -86.14 -36.9 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.65 111.03 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.641 HH22 HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.78 -36.58 79.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 3.62 110.805 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.99 -17.81 19.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.037 -0.529 . . . . 0.48 111.564 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.34 -64.05 0.93 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.459 -0.337 . . . . 2.14 111.131 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.641 HD23 HH22 ' A' ' 21' ' ' ARG . 47.8 tp -70.45 -29.04 65.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 1.51 111.087 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.5 m -60.7 -46.2 91.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.393 . . . . 0.55 110.441 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.32 93.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.538 . . . . 0.52 110.835 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -59.12 -55.5 34.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.57 -0.741 . . . . 0.72 111.162 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.588 HD11 HD13 ' A' ' 89' ' ' LEU . 4.6 mm? -60.48 -46.37 90.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 1.09 111.254 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.04 -18.99 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 1.2 111.319 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.05 86.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.68 110.933 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.74 0.16 11.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 1.16 110.968 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.05 46.58 16.07 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.169 -0.469 . . . . 2.03 110.711 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.77 22.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.869 -0.605 . . . . 0.54 111.275 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.688 ' HA ' HD12 ' A' ' 37' ' ' LEU . 63.4 p-90 -58.23 -30.09 66.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.5 110.959 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.27 -28.27 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 2.32 110.882 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -72.28 -38.06 68.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 3.29 110.893 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.7 mt -60.93 -58.49 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.35 -0.386 . . . . 0.65 110.955 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.8 -58.1 6.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.41 111.617 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -60.93 -32.94 72.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.51 111.91 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.06 -34.39 65.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.768 0.318 . . . . 0.47 111.32 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.1 m -102.64 3.79 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.303 -0.408 . . . . 0.5 110.847 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.76 93.17 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.949 -0.569 . . . . 2.14 110.981 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -120.13 161.86 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 1.03 110.93 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 62.4 m-85 -69.47 136.71 88.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.41 110.465 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 47.7 Cg_exo -57.78 -18.05 32.29 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.472 2.114 . . . . 1.32 112.206 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.83 -34.66 62.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.504 . . . . 2.01 110.547 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.77 -38.82 45.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 1.94 110.468 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.526 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.7 t -63.76 -42.36 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 0.88 110.643 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -41.08 94.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.546 . . . . 2.44 110.575 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.03 -43.31 95.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.831 -0.622 . . . . 2.12 110.858 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 48' ' ' VAL . 20.6 mt -62.97 -49.64 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.47 111.246 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 t -53.76 -38.28 64.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 1.42 111.178 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -59.19 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.93 111.212 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -60.86 -31.2 70.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 2.48 111.199 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.5 ttmt -59.94 -40.74 89.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 1.77 110.952 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -60.45 -26.63 66.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 3.02 111.289 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -93.2 70.37 4.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.35 . . . . 2.99 110.963 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 38.23 65.29 0.72 Allowed Glycine 0 C--N 1.332 0.334 0 CA-C-N 115.613 -0.722 . . . . 2.05 113.458 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -146.6 -176.58 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 5.55 111.067 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.3 122.24 42.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 1.51 110.896 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.543 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.31 -36.96 81.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.39 111.197 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.8 m -65.32 -40.47 93.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.66 110.769 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.47 -52.02 66.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 1.79 110.611 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.46 ' HB3' HG23 ' A' ' 51' ' ' ILE . 12.5 tp10 -65.21 -37.4 87.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 1.72 110.701 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.98 -46.59 84.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.066 -0.515 . . . . 0.5 110.662 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.91 -30.78 71.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.65 110.867 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -62.71 -64.04 1.04 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 1.48 110.941 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.76 -39.78 80.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.52 111.316 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -71.45 -18.44 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.63 110.673 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.24 56.21 0.49 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.946 -0.645 . . . . 1.08 112.499 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.47 -37.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 1.54 112.469 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.41 -26.95 26.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 1.99 110.787 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -111.9 -25.57 9.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 1.53 110.767 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 57.25 47.74 16.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 3.1 111.125 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -77.07 150.36 35.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 2.8 110.474 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.1 p -88.08 171.7 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.364 . . . . 1.17 111.205 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.4 m -63.03 -20.67 26.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 1.25 111.116 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.4 -54.47 43.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 2.24 110.66 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 m -55.6 -35.34 65.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.71 111.001 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 58.5 tp -61.13 -35.21 76.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.5 110.728 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -62.3 -52.77 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.73 110.87 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.01 -17.91 58.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.988 -0.551 . . . . 0.67 111.687 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 51.3 tp -65.75 -64.2 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.425 -0.352 . . . . 1.23 111.0 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.46 ' HB3' HD12 ' A' ' 89' ' ' LEU . 32.2 m-85 -58.57 -26.96 64.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.46 111.218 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -53.96 -25.35 20.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.244 -0.435 . . . . 1.59 111.112 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -58.44 -47.33 84.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 2.31 111.218 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -93.23 2.32 56.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.378 . . . . 1.57 111.107 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? 56.36 52.87 9.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 2.87 110.999 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 28' ' ' LEU . 2.6 mt -88.92 80.69 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.31 110.813 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -54.13 -29.54 45.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 1.84 111.138 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -72.58 -55.68 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 1.98 111.067 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.98 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.42 111.319 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.9 mtp -58.93 -56.0 27.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 1.29 111.003 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -57.46 -26.03 60.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.936 -0.574 . . . . 3.39 111.301 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.489 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.0 -34.61 78.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.43 -0.35 . . . . 0.79 111.335 -179.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.53 30.73 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 1.29 111.633 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.45 -18.48 29.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.348 . . . . 2.85 110.677 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -67.3 -5.66 15.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 1.64 111.118 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.23 -38.74 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 1.13 110.848 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.7 m -97.68 165.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 1.37 110.773 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.427 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 21.7 p -179.96 29.2 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.329 0.492 . . . . 2.53 112.329 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.38 -68.23 0.81 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.916 0.389 . . . . 4.26 111.235 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.16 -33.42 59.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 3.15 112.136 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.409 ' HB2' ' HE1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -82.24 -6.17 59.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.996 0.369 . . . . 1.91 111.996 -178.585 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.548 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -70.83 82.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 3.15 110.899 179.477 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.37 1.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.016 -0.538 . . . . 3.43 110.926 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.409 ' HE1' ' HB2' ' A' ' 104' ' ' LEU . 24.0 p90 -151.46 9.99 0.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.442 -0.345 . . . . 2.46 111.642 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.548 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.6 mp -58.25 120.22 41.91 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.765 -0.198 . . . . 2.67 110.58 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.41 148.43 92.97 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.496 2.13 . . . . 3.11 112.126 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.195 -0.907 . . . . 7.27 110.833 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.444 -0.262 . . . . 14.04 112.444 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.39 -67.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.349 . . . . 13.39 110.854 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -98.41 74.59 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 12.87 110.826 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.7 mtt -135.74 154.65 51.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 11.46 110.918 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.29 177.88 7.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 7.75 110.88 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -86.63 97.21 10.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 7.53 111.066 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.57 176.62 6.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 5.67 110.706 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -141.09 148.98 40.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 3.86 110.971 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.97 130.6 37.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.499 . . . . 4.31 110.877 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 p -138.19 -90.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 1.93 111.093 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.65 119.16 2.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 1.23 110.859 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.65 154.85 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.62 111.175 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.565 HG21 ' HA3' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -55.1 -29.44 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.67 . . . . 0.65 110.927 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -55.64 -31.3 62.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.353 -0.385 . . . . 2.82 110.806 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.93 -38.38 61.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 1.51 110.741 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.76 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -52.33 113.13 3.98 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.083 -0.508 . . . . 0.93 110.878 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HB2' HG23 ' A' ' 20' ' ' VAL . 51.1 Cg_exo -54.17 124.15 15.29 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.369 2.046 . . . . 0.48 112.204 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.613 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -54.07 -49.73 88.28 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.117 -0.492 . . . . 1.64 111.758 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.9 Cg_endo -50.98 -27.77 22.15 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.329 2.019 . . . . 0.59 112.586 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.51 HG23 ' HB2' ' A' ' 17' ' ' PRO . 27.6 t -85.59 -37.54 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.65 110.944 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.76 ' HG2' HD12 ' A' ' 16' ' ' LEU . 1.7 mmp_? -61.13 -40.8 95.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 3.62 110.951 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -20.75 25.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.999 -0.546 . . . . 0.48 111.778 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -55.83 11.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.509 -0.314 . . . . 2.14 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 95' ' ' LEU . 42.8 tp -70.15 -34.41 72.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.375 . . . . 1.51 110.509 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.8 m -59.87 -38.38 82.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.55 110.282 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.96 95.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.52 110.608 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -60.86 -50.23 74.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.762 -0.653 . . . . 0.72 110.694 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -60.0 -22.23 62.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.799 -0.637 . . . . 1.09 111.121 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -72.63 -35.62 67.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 1.2 110.965 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.58 76.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.68 111.043 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mp -72.0 -10.96 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.16 111.086 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 54.46 34.88 21.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.139 -0.482 . . . . 2.03 110.81 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' HA ' HE21 ' A' ' 36' ' ' GLN . 21.3 m -108.04 26.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.54 111.245 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.68 ' HA ' HD12 ' A' ' 37' ' ' LEU . 31.5 p-90 -66.81 -38.14 85.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.5 110.945 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -29.12 70.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 2.32 111.035 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 33' ' ' VAL . 3.1 mp0 -71.89 -37.74 70.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 3.29 110.92 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.0 mt -61.42 -56.77 16.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.387 -0.369 . . . . 0.65 110.606 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.9 -58.46 5.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.982 -0.554 . . . . 0.41 111.531 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -60.32 -36.1 77.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.51 111.573 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.01 -34.9 66.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.848 0.356 . . . . 0.47 111.187 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.61 5.61 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.5 110.868 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 tptt 57.74 96.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.036 -0.529 . . . . 2.14 110.997 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mt -119.72 162.68 18.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 1.03 110.868 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 78.4 m-85 -69.88 135.2 87.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 1.41 110.685 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 36.1 Cg_exo -59.42 -21.05 59.45 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.503 2.135 . . . . 1.32 112.368 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -77.96 -26.0 48.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 2.01 110.636 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -78.04 -30.78 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 1.94 110.584 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.435 ' HA ' HD12 ' A' ' 51' ' ' ILE . 21.5 t -63.39 -41.07 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 0.88 110.668 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -40.82 94.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 2.44 110.795 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.99 -35.54 73.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 2.12 110.945 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 48' ' ' VAL . 23.8 mt -74.12 -56.28 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.47 111.339 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -53.0 -32.35 45.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 1.42 111.078 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 t -59.77 -68.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.93 111.153 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -62.75 -15.3 52.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 2.48 111.46 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.02 -58.27 9.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.475 -0.33 . . . . 1.77 111.337 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -11.63 9.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.35 -0.386 . . . . 3.02 111.405 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -92.1 70.36 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 2.99 110.91 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.38 46.94 1.49 Allowed Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.635 -0.711 . . . . 2.05 113.396 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mmt-85 -143.27 174.71 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 5.55 111.181 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.7 m -110.97 136.11 50.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 1.51 110.876 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.55 -38.06 86.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.39 111.454 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.4 m -64.69 -32.08 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.66 111.337 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -60.84 -58.13 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 1.79 111.199 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -64.49 -37.12 86.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.72 110.767 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -57.85 -41.54 82.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.5 110.778 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -42.55 94.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.65 111.308 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -62.74 -42.61 99.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.333 -0.394 . . . . 1.48 111.541 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.0 mt -72.43 -51.07 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.52 111.72 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -70.75 -16.25 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.63 110.932 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.565 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -132.08 57.81 0.71 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 1.08 112.452 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.58 -45.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.737 -0.744 . . . . 1.54 112.587 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -102.19 -31.29 10.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.8 0.333 . . . . 1.99 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -95.07 -22.7 17.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 1.53 110.807 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t30 65.43 143.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.989 -0.551 . . . . 3.1 111.151 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.409 ' CE1' HG21 ' A' ' 79' ' ' THR . 0.2 OUTLIER -161.68 -156.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 2.8 110.853 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.548 ' HB ' ' HG2' ' A' ' 78' ' ' GLN . 0.6 OUTLIER -147.88 158.33 43.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.9 0.381 . . . . 1.17 111.198 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.492 HG11 HD23 ' A' ' 16' ' ' LEU . 19.2 m -64.85 -31.87 55.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.03 -0.532 . . . . 1.25 111.96 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.548 ' HG2' ' HB ' ' A' ' 76' ' ' THR . 7.2 pt20 -54.82 -49.26 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 2.24 111.049 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.409 HG21 ' CE1' ' A' ' 75' ' ' HIS . 8.1 m -55.92 -34.04 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.71 111.568 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.98 -39.23 88.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.5 111.143 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.36 -56.92 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.73 110.952 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.582 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -61.99 -17.43 57.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.67 111.57 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.8 tp -67.63 -54.85 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.41 -0.359 . . . . 1.23 111.509 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -57.62 -18.1 18.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.46 111.851 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.582 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mmtm -53.53 -41.67 66.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 1.59 110.988 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.46 -36.09 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 2.31 111.244 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 mt -92.37 -7.3 48.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 1.57 111.064 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.64 31.93 20.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 2.87 111.215 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 73.5 mt -89.43 70.47 8.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 1.31 110.715 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -54.34 -35.22 62.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 1.84 111.294 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.477 ' HA ' ' HG3' ' A' ' 94' ' ' ARG . 14.1 p-10 -58.8 -47.28 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 1.98 111.227 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.6 -43.34 72.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.442 . . . . 0.42 111.349 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.8 mtt -59.42 -33.7 71.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 1.29 111.367 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.477 ' HG3' ' HA ' ' A' ' 91' ' ' ASN . 3.5 mmm180 -58.63 -20.65 49.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 3.39 111.559 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.56 ' HB2' HD13 ' A' ' 24' ' ' LEU . 5.6 mp -85.11 -21.74 29.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.49 -0.323 . . . . 0.79 111.292 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.98 64.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 1.29 111.235 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 94' ' ' ARG . 4.0 mttp -104.58 -52.45 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 2.85 111.002 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.92 6.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.64 111.547 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.412 ' H ' ' C ' ' A' ' 97' ' ' LYS . 39.9 m-85 -108.73 -18.92 13.59 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.708 -0.224 . . . . 1.13 111.364 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.6 m -97.98 -173.3 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 1.37 111.372 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.07 164.37 0.64 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.008 -0.542 . . . . 2.53 111.417 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.69 -5.38 53.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.96 -0.564 . . . . 4.26 110.926 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -23.16 66.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 3.15 110.691 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 mp -84.99 -21.2 29.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 1.91 110.867 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.571 ' HA ' HD13 ' A' ' 108' ' ' ILE . 14.4 m-70 -67.76 84.19 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.313 -0.403 . . . . 3.15 110.703 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.32 -40.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 3.43 111.086 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -90.14 -10.75 43.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.017 0.437 . . . . 2.46 110.469 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.571 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.7 mp -51.78 112.81 3.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.513 -0.767 . . . . 2.67 111.047 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.48 172.08 8.42 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.463 2.109 . . . . 3.11 112.019 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 110' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.206 -0.902 . . . . 7.27 110.833 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.432 -0.267 . . . . 14.04 112.432 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 m -112.09 -3.33 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 13.39 110.821 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.36 -71.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 12.87 110.982 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.02 121.04 20.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 11.46 110.9 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -99.56 -56.59 2.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 7.75 110.903 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 54.11 81.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 7.53 110.945 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp 57.5 -94.47 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.029 -0.532 . . . . 5.67 111.0 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.73 82.67 0.2 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.982 0.42 . . . . 3.86 110.957 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -115.46 132.28 56.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 4.31 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.68 -178.19 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 1.93 111.085 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -55.98 135.77 52.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 1.23 111.119 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.81 142.15 15.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.225 0.536 . . . . 0.62 111.351 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -57.53 -33.38 44.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.272 -0.876 . . . . 0.65 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -31.93 62.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.411 . . . . 2.82 110.9 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.44 -33.09 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 1.51 110.915 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 110.63 1.86 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.93 111.033 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.89 121.18 7.69 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.483 2.122 . . . . 0.48 112.46 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.604 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.9 tp -58.21 -48.75 96.46 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.026 -0.534 . . . . 1.64 111.792 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.5 Cg_endo -53.86 -24.68 32.19 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.102 1.868 . . . . 0.59 112.444 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -86.21 -42.55 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.403 -0.362 . . . . 0.65 110.706 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' NH1' HD22 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -60.34 -38.16 82.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 3.62 110.887 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.42 -22.43 31.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.48 111.743 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -67.41 -35.28 78.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 2.14 110.789 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.624 HD12 ' HB3' ' A' ' 95' ' ' LEU . 8.0 tt -90.6 -34.87 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 1.51 110.889 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.1 m -59.26 -40.94 87.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.55 110.445 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.07 97.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.961 -0.563 . . . . 0.52 110.85 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -62.4 -56.87 14.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.8 -0.636 . . . . 0.72 111.17 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.69 -42.74 89.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.977 -0.556 . . . . 1.09 111.223 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.08 -27.61 69.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 1.2 111.073 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.92 -36.72 80.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.68 110.913 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mp -72.26 -0.06 11.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 1.16 110.919 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 56.15 56.55 5.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.165 -0.471 . . . . 2.03 110.8 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.39 23.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.541 . . . . 0.54 111.221 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -58.81 -35.2 72.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.5 110.996 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -28.29 69.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 2.32 110.829 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.24 -32.12 66.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.015 -0.539 . . . . 3.29 110.427 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.698 HD23 HD21 ' A' ' 83' ' ' LEU . 1.4 mt -67.66 -56.68 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 0.65 110.348 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.33 -56.37 15.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.41 111.291 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.4 m -60.91 -32.63 72.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.51 111.667 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -55.57 -32.97 63.46 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.575 -0.284 . . . . 0.47 111.379 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' HG ' ' A' ' 43' ' ' LEU . 3.7 m -104.82 5.96 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.441 -0.345 . . . . 0.5 111.222 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt 57.14 94.16 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.079 -0.51 . . . . 2.14 111.11 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.547 HD11 ' HE1' ' A' ' 65' ' ' PHE . 81.3 mt -119.88 153.26 36.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 1.03 110.971 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' VAL . 94.2 m-85 -69.27 131.8 90.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.41 110.625 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.43 -13.28 16.27 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.456 2.104 . . . . 1.32 112.402 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -84.79 -36.35 21.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 2.01 110.829 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -37.63 41.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 1.94 110.762 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 44' ' ' TYR . 25.8 t -64.42 -23.4 33.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 0.88 110.967 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -30.5 68.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 2.44 110.811 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -59.82 -42.01 92.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 2.12 111.077 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.8 mt -70.29 -51.99 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.47 111.312 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 p -53.34 -24.67 12.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 1.42 111.181 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 56' ' ' GLN . 7.6 t -57.4 -67.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.93 110.704 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -62.3 -32.05 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 2.48 110.749 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.561 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 2.8 ttpt -59.97 -21.43 61.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 1.77 111.2 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -61.96 -4.34 1.57 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.335 -0.393 . . . . 3.02 111.531 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -148.64 71.64 1.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.823 0.344 . . . . 2.99 111.428 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.26 82.13 0.03 OUTLIER Glycine 0 C--N 1.333 0.362 0 CA-C-N 116.055 -0.52 . . . . 2.05 113.324 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.561 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . 6.8 mmt180 -142.66 138.29 30.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 5.55 110.977 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.1 t -69.86 96.8 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 1.51 110.984 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.83 83.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.39 111.483 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 m -64.94 -37.06 86.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.327 -0.397 . . . . 0.66 111.163 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.41 -54.7 42.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 1.79 110.769 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.98 -37.68 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 1.72 110.582 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' HE1' HD11 ' A' ' 43' ' ' LEU . 21.5 t80 -56.32 -45.0 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.5 110.719 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -42.06 96.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.65 111.083 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -63.13 -27.63 69.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 1.48 111.73 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mt -92.06 -32.44 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.814 0.301 . . . . 0.52 111.814 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -72.77 -20.86 61.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.474 -0.33 . . . . 0.63 111.301 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.04 18.88 5.26 Favored Glycine 0 N--CA 1.454 -0.128 0 C-N-CA 120.686 -0.769 . . . . 1.08 112.57 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.57 -3.88 18.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 1.54 112.599 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -152.12 3.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 1.99 111.043 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -120.98 -29.33 4.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.428 . . . . 1.53 111.11 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.5 120.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.485 . . . . 3.1 110.843 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.23 -153.71 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 2.8 110.997 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.1 p -143.63 158.85 43.36 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.84 0.352 . . . . 1.17 111.154 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 99' ' ' TYR . 3.3 m -64.37 -14.11 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 1.25 111.743 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -54.97 40.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 2.24 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.4 m -55.37 -34.89 64.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.71 110.992 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.451 HD22 ' NH1' ' A' ' 21' ' ' ARG . 37.5 tp -60.84 -35.04 75.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.5 110.791 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -62.1 -60.46 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.73 111.056 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.65 -17.99 57.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.075 -0.512 . . . . 0.67 111.563 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.698 HD21 HD23 ' A' ' 37' ' ' LEU . 2.1 tp -65.19 -60.97 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 1.23 111.046 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -59.0 -32.13 69.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.456 -0.338 . . . . 0.46 111.025 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -26.67 28.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.191 -0.459 . . . . 1.59 111.496 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -57.99 -48.48 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 2.31 111.076 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.44 3.51 55.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 1.57 111.13 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt 56.51 53.29 8.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 2.87 111.108 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.76 79.29 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 1.31 110.672 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -34.3 57.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.937 -0.574 . . . . 1.84 111.373 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -64.31 -58.96 5.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 1.98 111.063 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.59 -33.36 60.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.42 111.33 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.3 mmm -59.7 -59.08 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.29 111.831 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -56.22 -24.66 43.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.587 -0.279 . . . . 3.39 111.577 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -67.26 -35.81 80.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 0.79 110.833 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.2 pt -121.9 40.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.309 -0.405 . . . . 1.29 111.062 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -99.99 54.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 2.85 111.117 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -172.91 8.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 1.64 111.775 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.508 ' O ' HG21 ' A' ' 77' ' ' VAL . 22.9 m-85 -115.07 -0.91 13.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.808 0.337 . . . . 1.13 110.918 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -169.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 1.37 111.103 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.02 171.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 2.53 111.462 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.78 -5.19 42.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.079 -0.509 . . . . 4.26 110.785 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.24 -28.75 68.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 3.15 111.395 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.538 HD12 HD11 ' A' ' 108' ' ' ILE . 0.4 OUTLIER -83.87 -14.27 51.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 1.91 111.08 -179.725 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.579 ' HA ' HD13 ' A' ' 108' ' ' ILE . 5.4 m-70 -70.52 84.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 3.15 110.547 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.44 -42.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 3.43 111.472 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -92.14 -8.23 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 2.46 110.774 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.579 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.2 mp -51.48 117.73 9.86 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 2.67 110.906 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.58 174.51 9.64 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.381 2.054 . . . . 3.11 112.501 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.26 -0.876 . . . . 7.27 110.851 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 N-CA-C 112.523 -0.231 . . . . 14.04 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -157.56 -179.34 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 13.39 110.816 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -66.22 -28.5 68.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 12.87 110.855 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.83 150.02 26.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 11.46 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.37 163.05 27.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 7.75 111.014 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -68.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 7.53 110.923 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.18 -170.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 5.67 110.951 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 56.69 82.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 3.86 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -128.45 113.64 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 4.31 110.938 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -81.72 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 1.93 111.002 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 77' ' ' VAL . 3.3 ptm -161.67 128.96 3.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.454 . . . . 1.23 110.823 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' HA ' HG22 ' A' ' 76' ' ' THR . . . -51.55 157.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.62 111.15 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -56.97 -27.83 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.65 110.685 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.24 -32.64 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 2.82 110.473 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.73 -37.25 85.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.948 -0.569 . . . . 1.51 110.496 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.57 108.61 1.13 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.084 -0.507 . . . . 0.93 110.697 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.0 115.14 2.22 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.344 2.03 . . . . 0.48 112.204 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.6 tp -54.55 -49.81 88.95 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.201 -0.454 . . . . 1.64 111.761 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.1 Cg_endo -51.75 -29.19 32.93 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.144 1.896 . . . . 0.59 111.973 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -86.21 -34.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.052 -0.522 . . . . 0.65 110.465 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.614 HH12 HG21 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -60.5 -34.39 74.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 3.62 110.608 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -25.35 48.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.672 . . . . 0.48 111.521 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.63 -47.82 68.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.407 -0.36 . . . . 2.14 110.637 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD23 HH22 ' A' ' 21' ' ' ARG . 41.6 tp -75.12 -26.05 58.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 1.51 110.65 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.0 m -61.77 -42.62 99.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.55 110.361 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.68 88.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.578 . . . . 0.52 110.658 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -59.65 -54.99 39.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.72 110.535 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.719 HD22 HD11 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -59.82 -29.36 68.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.963 -0.562 . . . . 1.09 110.983 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -37.42 87.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 1.2 110.845 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.93 78.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.68 110.971 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -15.51 62.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 1.16 110.848 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 54.83 35.08 23.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 2.03 111.057 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -107.43 23.66 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.54 111.144 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.642 ' HA ' HD12 ' A' ' 37' ' ' LEU . 52.0 p-90 -63.89 -36.43 83.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.5 110.76 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -63.26 -32.27 73.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 2.32 110.829 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -72.11 -32.25 66.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 3.29 111.076 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.719 HD11 HD22 ' A' ' 28' ' ' LEU . 34.1 mt -61.33 -52.44 64.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.65 110.402 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.9 -60.93 2.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.41 111.225 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -32.35 71.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.51 111.497 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.3 67.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.436 -0.347 . . . . 0.47 111.284 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.462 HG11 ' CZ2' ' A' ' 69' ' ' TRP . 1.5 m -103.66 6.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.384 -0.371 . . . . 0.5 111.051 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 101.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.111 -0.495 . . . . 2.14 111.12 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt -136.46 161.33 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 1.03 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 56.7 m-85 -69.76 139.97 88.87 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 1.41 110.602 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 39.7 Cg_exo -58.78 -20.04 49.64 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.374 2.049 . . . . 1.32 111.952 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.96 -29.29 67.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.494 . . . . 2.01 110.454 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -77.87 -38.81 45.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 1.94 110.594 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.624 ' HA ' HD12 ' A' ' 51' ' ' ILE . 10.2 t -63.98 -43.75 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.88 110.792 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -36.2 78.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 2.44 110.684 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -42.18 94.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 2.12 110.833 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 48' ' ' VAL . 8.2 mt -66.4 -53.55 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.47 111.247 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -29.11 40.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 1.42 111.359 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -68.82 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.93 111.166 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.01 -32.21 72.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 2.48 110.986 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -58.79 -30.44 67.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 1.77 110.837 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -37.87 82.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 3.02 111.104 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -93.32 70.51 4.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 2.99 111.144 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.77 74.18 0.12 Allowed Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.661 -0.699 . . . . 2.05 113.395 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.05 147.74 29.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 5.55 111.095 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.8 t -76.5 111.08 11.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.51 110.93 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.93 -33.1 72.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.39 111.141 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 m -64.8 -38.0 89.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.66 110.872 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -48.1 83.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 1.79 110.854 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.6 ' HB2' HG23 ' A' ' 51' ' ' ILE . 10.5 mm-40 -65.16 -42.02 94.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 1.72 110.666 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -57.61 -47.93 80.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.5 110.695 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.457 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 1.9 mm? -64.64 -28.89 69.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.65 110.999 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.96 -47.96 78.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 1.48 111.627 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.1 mt -79.55 -46.46 22.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.394 -0.366 . . . . 0.52 111.738 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.462 ' CZ2' HG11 ' A' ' 41' ' ' VAL . 27.0 t90 -70.53 -19.73 62.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.63 111.068 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -120.66 94.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.69 -0.767 . . . . 1.08 112.524 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.12 -10.89 3.87 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.884 -0.674 . . . . 1.54 112.457 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -123.77 -18.45 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 1.99 110.816 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -106.75 -9.47 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 1.53 111.092 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 55.63 50.54 14.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 3.1 110.919 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.603 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -77.47 -160.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 2.8 110.959 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 12' ' ' ALA . 28.8 p -147.01 159.56 43.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.321 -0.4 . . . . 1.17 110.983 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 11' ' ' MET . 19.4 t -63.43 -27.94 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 1.25 111.171 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.56 -50.73 71.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 2.24 111.039 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.1 m -55.27 -34.28 63.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.71 111.366 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.48 -43.6 98.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.5 111.109 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.483 ' HB2' HG11 ' A' ' 100' ' ' VAL . 12.9 t80 -60.29 -59.24 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.73 111.118 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.48 -19.95 62.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.67 111.689 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 tp -66.35 -55.59 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 1.23 110.993 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -57.6 -28.77 63.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.46 111.157 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -37.67 63.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.277 -0.42 . . . . 1.59 111.097 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.53 -40.4 82.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 2.31 111.114 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.33 -4.42 48.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 1.57 111.058 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.87 54.43 8.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.166 -0.47 . . . . 2.87 111.041 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.5 mt -89.65 82.43 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 1.31 111.031 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -54.96 -24.31 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 1.84 111.011 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -51.03 8.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 1.98 111.1 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.57 -40.85 65.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.373 -0.376 . . . . 0.42 110.993 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.8 mtm -59.56 -61.94 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.29 110.764 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 94' ' ' ARG . 6.3 ptp180 -59.46 -13.67 9.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 3.39 111.2 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.432 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -78.24 -32.74 49.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 0.79 110.9 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.614 HG21 HH12 ' A' ' 21' ' ' ARG . 0.7 OUTLIER -126.31 48.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.376 -0.375 . . . . 1.29 111.305 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 94' ' ' ARG . 7.4 pttp -98.79 75.69 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 2.85 110.839 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -174.56 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 1.64 111.191 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -102.01 0.51 35.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.771 0.32 . . . . 1.13 110.836 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.483 HG11 ' HB2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -100.23 -170.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 1.37 110.984 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.89 166.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 2.53 111.239 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -93.81 -4.84 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 4.26 110.818 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -31.58 72.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 3.15 111.162 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.41 27.61 0.81 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.386 -0.37 . . . . 1.91 111.339 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.65 ' HA ' HD13 ' A' ' 108' ' ' ILE . 8.3 m170 -110.69 72.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 3.15 109.925 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -33.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 3.43 111.329 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -90.88 -7.74 51.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 2.46 110.739 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.65 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.5 mp -51.15 117.58 9.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.888 -0.597 . . . . 2.67 110.806 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -82.01 172.78 11.62 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.487 2.125 . . . . 3.11 112.525 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.242 -0.885 . . . . 7.27 110.911 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.457 -0.257 . . . . 14.04 112.457 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t 56.26 71.79 0.54 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.815 0.34 . . . . 13.39 110.99 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 m80 55.56 69.09 0.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.074 -0.512 . . . . 12.87 110.896 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.7 tpt -127.17 39.89 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 11.46 110.826 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m 56.69 78.37 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 7.75 111.022 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -165.22 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.058 -0.519 . . . . 7.53 110.832 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.4 mt -118.61 -45.26 2.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 5.67 111.067 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.75 58.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 3.86 110.991 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -165.1 152.07 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 4.31 110.885 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.509 HG21 ' HA ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -139.76 -179.98 6.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 1.93 111.058 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.404 ' H ' HG22 ' A' ' 10' ' ' THR . 4.0 ptt? -55.58 132.23 48.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 1.23 110.938 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.27 149.15 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.62 111.177 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' A' ' 75' ' ' HIS . 0.4 OUTLIER -60.54 -23.64 29.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.976 -0.556 . . . . 0.65 110.842 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -14.57 4.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 2.82 110.865 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.05 -30.24 13.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.44 . . . . 1.51 110.189 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.89 106.72 0.69 Allowed Pre-proline 0 C--O 1.231 0.113 0 CA-C-N 115.997 -0.547 . . . . 0.93 110.278 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -62.92 115.77 3.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.543 2.162 . . . . 0.48 112.484 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.615 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.1 mt -53.95 -49.8 87.6 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.794 -0.639 . . . . 1.64 111.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 8.0 Cg_endo -49.78 -30.13 22.17 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.231 1.954 . . . . 0.59 112.277 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.9 t -86.47 -36.36 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.65 110.698 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.512 HH12 HG21 ' A' ' 96' ' ' ILE . 2.9 tpt180 -60.14 -27.13 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.929 -0.578 . . . . 3.62 110.865 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.14 -24.32 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 0.48 111.308 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.56 -44.87 77.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 2.14 111.357 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.932 HD23 HD13 ' A' ' 95' ' ' LEU . 2.5 tm? -83.47 -26.65 30.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.436 -0.347 . . . . 1.51 111.186 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.5 m -58.82 -45.82 89.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.954 0.407 . . . . 0.55 110.588 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.0 99.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.52 110.821 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.53 ' HB3' HD22 ' A' ' 24' ' ' LEU . 77.5 t60 -58.4 -56.74 18.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.443 -0.799 . . . . 0.72 111.127 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 37' ' ' LEU . 2.7 mm? -60.03 -34.62 73.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 1.09 110.993 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -64.31 -35.19 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.51 . . . . 1.2 110.859 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.61 76.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.68 110.999 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.57 -12.12 61.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 1.16 110.752 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t0 54.73 43.26 30.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.057 -0.52 . . . . 2.03 110.925 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -118.4 22.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.54 111.265 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.804 ' HA ' HD12 ' A' ' 37' ' ' LEU . 26.7 p-90 -59.84 -37.35 78.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.5 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -35.79 81.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 2.32 111.002 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -72.3 -8.98 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 3.29 111.036 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 34' ' ' TRP . 11.7 mt -92.98 -58.65 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 0.65 109.996 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -55.21 24.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.574 . . . . 0.41 110.927 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 m -61.19 -33.4 73.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.971 -0.559 . . . . 0.51 111.503 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -55.28 -34.95 64.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.406 -0.361 . . . . 0.47 111.383 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.4 m -103.2 4.97 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.5 110.949 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.93 103.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.867 -0.606 . . . . 2.14 111.325 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 mt -130.97 164.5 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.03 110.791 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.418 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 18.5 m-85 -69.06 158.06 87.54 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 1.41 110.687 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 44' ' ' TYR . 82.8 Cg_endo -72.77 -31.24 10.65 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.454 2.103 . . . . 1.32 111.795 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 50' ' ' GLN . 10.4 m-20 -63.63 -28.16 69.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.878 -0.601 . . . . 2.01 110.35 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -78.22 -43.92 27.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 1.94 110.558 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.481 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.8 t -63.91 -49.84 80.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.88 110.465 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.64 -33.79 73.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 2.44 110.318 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -58.02 -42.95 86.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.904 -0.589 . . . . 2.12 110.734 179.513 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 48' ' ' VAL . 6.7 mt -68.7 -43.37 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.47 110.867 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.5 t -54.93 -25.44 29.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 1.42 111.298 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -57.51 -69.04 0.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.328 -0.397 . . . . 0.93 110.952 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.429 ' HB2' ' HG3' ' A' ' 59' ' ' ARG . 3.5 pt20 -63.26 -39.17 93.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 2.48 110.896 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -60.1 -22.99 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 1.77 111.119 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -6.62 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.335 -0.393 . . . . 3.02 111.598 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.37 73.57 1.25 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.844 0.354 . . . . 2.99 111.587 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.85 82.37 0.04 OUTLIER Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.998 -0.546 . . . . 2.05 113.313 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.493 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -150.49 139.98 21.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 5.55 110.803 179.642 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 p -69.66 99.88 1.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 1.51 110.951 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.38 80.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.39 111.295 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -64.86 -35.9 82.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.66 111.034 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -52.12 66.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 1.79 110.517 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -66.57 -35.29 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.399 . . . . 1.72 110.39 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -57.94 -49.97 74.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 0.5 110.901 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.38 -32.96 74.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.65 110.959 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.57 -17.67 63.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 1.48 111.159 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.04 -50.53 9.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.4 -0.364 . . . . 0.52 111.517 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -71.58 -12.36 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.63 110.958 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.22 98.33 0.66 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.762 -0.732 . . . . 1.08 112.653 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.29 -22.5 3.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 1.54 112.769 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -106.45 -32.76 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.708 0.29 . . . . 1.99 111.121 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -99.12 -17.92 17.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.53 111.154 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 m120 56.34 53.84 8.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.03 0.443 . . . . 3.1 110.613 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.495 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -76.59 -163.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 2.8 110.873 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.5 p -141.71 162.95 34.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.338 . . . . 1.17 111.006 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.61 -13.81 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 1.25 111.283 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.15 -63.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.411 . . . . 2.24 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.8 m -54.22 -30.9 51.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 0.71 111.355 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.472 HD21 HH22 ' A' ' 21' ' ' ARG . 59.0 tp -60.57 -47.49 85.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.5 110.83 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -61.98 -53.75 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.73 110.918 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' HA ' ' HG3' ' A' ' 85' ' ' LYS . . . -61.33 -22.67 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.67 111.637 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.3 tp -67.03 -50.13 62.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 1.23 111.018 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -58.98 -22.98 61.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.46 111.558 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.43 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -54.45 -21.41 9.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.509 -0.314 . . . . 1.59 111.389 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -58.77 -61.71 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 2.31 111.223 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.66 2.79 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 1.57 110.887 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm 52.97 66.67 1.16 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 2.87 110.105 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 89' ' ' LEU . 4.6 mp -88.19 89.21 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 1.31 110.899 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -53.48 -48.45 68.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 1.84 111.583 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -59.66 -55.87 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 1.98 111.38 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.75 -38.03 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 0.42 111.387 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 mtm -60.02 -64.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 1.29 111.441 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.59 ' HA ' ' HG3' ' A' ' 97' ' ' LYS . 6.2 ptm180 -58.26 -17.99 23.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.271 -0.422 . . . . 3.39 111.673 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.932 HD13 HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -68.72 -32.14 71.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.553 -0.294 . . . . 0.79 111.214 -179.651 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.512 HG21 HH12 ' A' ' 21' ' ' ARG . 1.3 pp -127.69 32.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 1.29 111.437 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HG3' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -66.66 -51.68 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.385 . . . . 2.85 110.967 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.99 13.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 1.64 111.816 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.444 ' H ' ' C ' ' A' ' 97' ' ' LYS . 43.4 m-85 -113.24 -13.37 12.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.587 0.232 . . . . 1.13 111.428 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 97' ' ' LYS . 16.0 m -97.72 -169.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 1.37 111.174 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -53.52 157.91 1.97 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.234 -0.439 . . . . 2.53 111.355 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -86.53 -5.71 59.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.084 -0.507 . . . . 4.26 110.829 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -66.67 -20.45 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 3.15 110.912 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.25 -22.48 30.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.91 110.822 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.712 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -66.55 83.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.932 0.396 . . . . 3.15 110.56 179.778 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.39 -41.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 3.43 110.794 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -90.76 -15.35 30.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.05 -0.523 . . . . 2.46 110.512 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.712 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.5 mp -51.49 118.52 11.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.659 -0.7 . . . . 2.67 110.897 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.23 146.34 95.95 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.45 2.1 . . . . 3.11 112.17 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.3 -0.857 . . . . 7.27 110.875 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.475 -0.25 . . . . 14.04 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -148.5 -49.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 13.39 110.846 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.32 148.24 52.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 12.87 111.027 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.1 tpt 54.18 42.56 31.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 11.46 111.174 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.4 -20.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 7.75 110.849 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -127.96 -21.8 3.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 7.53 110.944 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.83 -179.43 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 5.67 110.783 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.83 169.34 15.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 3.86 110.838 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -126.59 33.6 4.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 4.31 111.029 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.494 ' HB ' ' HB ' ' A' ' 76' ' ' THR . 0.3 OUTLIER -59.72 141.1 55.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 1.93 111.097 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -55.63 122.86 12.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 1.23 111.066 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.32 164.39 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.068 -0.514 . . . . 0.62 111.198 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -24.07 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.788 -0.642 . . . . 0.65 110.624 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -31.22 62.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.176 -0.466 . . . . 2.82 110.216 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.06 -39.3 50.35 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.839 -0.619 . . . . 1.51 109.587 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.97 106.94 0.73 Allowed Pre-proline 0 C--O 1.231 0.103 0 CA-C-N 115.617 -0.72 . . . . 0.93 110.302 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.92 102.37 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.454 2.103 . . . . 0.48 112.198 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.404 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -54.09 -48.38 94.31 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 115.863 -0.608 . . . . 1.64 111.919 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 84.9 Cg_exo -46.82 -33.3 13.8 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.225 1.95 . . . . 0.59 112.424 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 t -86.79 -42.75 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.65 110.672 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -60.27 -20.34 58.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 3.62 110.563 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.89 -23.38 44.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.617 -0.72 . . . . 0.48 111.424 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -67.22 -34.35 77.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 2.14 110.381 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD13 HD22 ' A' ' 95' ' ' LEU . 42.9 tp -79.37 -34.22 42.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.038 -0.528 . . . . 1.51 110.571 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.5 m -60.42 -48.39 81.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.032 0.444 . . . . 0.55 110.173 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.12 -38.56 86.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.806 -0.634 . . . . 0.52 110.493 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.17 -54.15 50.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.495 -0.775 . . . . 0.72 110.726 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.8 -31.0 69.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.839 -0.618 . . . . 1.09 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.41 -28.59 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 1.2 110.991 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.39 69.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.68 111.101 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -14.77 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 1.16 111.041 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 56.59 66.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 2.03 111.025 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 m -135.42 25.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.54 111.023 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.571 ' HA ' HD12 ' A' ' 37' ' ' LEU . 27.0 p-90 -60.58 -37.67 82.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.04 -0.527 . . . . 0.5 110.952 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -31.53 72.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 2.32 110.765 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -31.67 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 3.29 110.687 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 34' ' ' TRP . 10.7 mt -62.95 -58.74 6.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.65 110.478 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 -57.12 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.41 111.462 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -60.52 -32.12 71.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.51 111.882 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.08 -34.68 63.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.76 0.314 . . . . 0.47 111.051 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.612 HG13 HD13 ' A' ' 83' ' ' LEU . 2.9 m -105.42 2.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.5 110.688 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.75 97.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.796 -0.638 . . . . 2.14 111.209 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 mt -125.16 167.63 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 1.03 111.154 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 48' ' ' VAL . 34.8 m-85 -69.74 160.91 77.94 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 1.41 110.618 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -72.03 -37.05 5.18 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.432 2.088 . . . . 1.32 111.982 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.77 -24.87 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.943 -0.571 . . . . 2.01 110.623 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -79.3 -49.98 11.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 1.94 110.723 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.624 ' HA ' HD12 ' A' ' 51' ' ' ILE . 3.0 t -64.12 -48.94 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.88 110.836 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.63 -37.61 79.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 2.44 110.504 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.93 -35.15 68.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.064 -0.516 . . . . 2.12 110.653 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 48' ' ' VAL . 15.5 mt -71.38 -37.91 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.47 110.97 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 t -53.73 -39.05 64.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 1.42 111.15 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.0 m -59.74 -62.89 1.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.93 110.859 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -62.48 -19.14 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.033 -0.53 . . . . 2.48 111.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 19.6 ttpp -61.81 -61.75 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 1.77 111.23 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -60.16 -21.81 62.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.178 -0.464 . . . . 3.02 111.387 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -149.05 86.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.98 0.419 . . . . 2.99 111.092 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -176.75 -95.9 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.849 -0.691 . . . . 2.05 112.432 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -146.24 -78.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 5.55 110.859 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.91 151.78 38.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 1.51 110.901 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB2' ' HD2' ' A' ' 55' ' ' LYS . . . -61.04 -51.02 70.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.39 111.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -32.95 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.66 110.842 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -55.61 31.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 1.79 110.669 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.599 ' HB3' HG23 ' A' ' 51' ' ' ILE . 19.9 tp10 -64.81 -35.58 81.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 1.72 110.468 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.04 -48.22 80.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.834 -0.621 . . . . 0.5 110.846 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.52 -29.5 70.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.65 110.983 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -63.35 -17.61 62.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 1.48 111.254 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.9 mt -108.97 -52.4 6.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.52 111.536 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -70.7 -40.89 72.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.453 -0.34 . . . . 0.63 110.831 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.64 71.77 1.1 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.884 -0.675 . . . . 1.08 112.312 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 174.62 -62.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.84 -0.695 . . . . 1.54 112.276 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -70.74 -20.39 62.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 1.99 110.729 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -95.6 -19.67 19.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.006 -0.543 . . . . 1.53 110.854 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 57.16 38.16 28.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 3.1 110.767 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.36 150.06 35.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 2.8 110.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.494 ' HB ' ' HB ' ' A' ' 10' ' ' THR . 5.9 p -89.35 168.16 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 1.17 111.065 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.77 -20.4 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 1.25 111.07 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -59.48 -57.56 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 2.24 110.99 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 m -54.93 -33.96 62.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.71 111.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.8 tp -60.42 -39.46 87.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.5 110.897 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.06 -50.36 72.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.73 110.868 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.65 -25.55 67.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.67 111.478 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.612 HD13 HG13 ' A' ' 41' ' ' VAL . 22.0 tp -65.66 -54.07 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 1.23 111.05 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -58.32 -28.96 65.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.36 . . . . 0.46 111.173 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -38.81 63.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 1.59 110.705 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -60.02 -38.86 83.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 2.31 110.849 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.413 ' C ' ' HG2' ' A' ' 88' ' ' LYS . 3.6 mm? -92.52 14.96 15.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.123 -0.489 . . . . 1.57 110.936 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 87' ' ' LEU . 2.3 ptpt 39.32 45.3 1.17 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.987 -0.551 . . . . 2.87 111.643 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.48 HD13 HD11 ' A' ' 28' ' ' LEU . 43.1 mt -90.07 70.94 7.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.111 -0.495 . . . . 1.31 110.855 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.42 -33.53 54.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 1.84 111.154 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -55.07 12.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 1.98 111.174 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.42 35.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.42 111.5 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.2 mtt -59.71 -61.16 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 1.29 111.264 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.564 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 1.4 ptm180 -58.31 -18.26 25.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.28 -0.418 . . . . 3.39 111.393 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.561 HD22 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -71.15 -30.85 66.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.79 111.236 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.417 HG23 HD22 ' A' ' 24' ' ' LEU . 1.2 pt -116.69 7.5 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 1.29 111.486 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.564 ' HB2' ' HA ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -70.44 -20.55 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 2.85 110.828 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -5.11 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 1.64 111.456 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -107.81 -41.13 5.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.553 -0.294 . . . . 1.13 111.233 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.698 HG23 HD11 ' A' ' 104' ' ' LEU . 33.9 m -97.62 163.97 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 1.37 110.858 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.76 ' HA ' HD12 ' A' ' 104' ' ' LEU . 27.6 p 177.34 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.503 -0.317 . . . . 2.53 111.608 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -46.87 -52.52 14.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.007 -0.542 . . . . 4.26 112.003 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -69.37 -40.7 77.3 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.354 0.501 . . . . 3.15 112.354 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 101' ' ' SER . 0.0 OUTLIER -83.6 -4.3 58.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.943 0.349 . . . . 1.91 111.943 -178.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -63.07 83.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 3.15 111.059 -179.515 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.448 ' H ' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -176.33 -7.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.763 -0.653 . . . . 3.43 110.478 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.448 ' H ' ' H ' ' A' ' 106' ' ' LYS . 15.5 p90 -151.14 7.57 0.52 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.242 -0.435 . . . . 2.46 111.751 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 104' ' ' LEU . 1.3 mp -59.47 126.65 82.97 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.862 -0.153 . . . . 2.67 110.93 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -80.35 160.84 22.85 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.486 2.124 . . . . 3.11 112.251 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.232 -0.89 . . . . 7.27 110.861 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 112.426 -0.27 . . . . 14.04 112.426 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.29 37.73 28.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 13.39 110.93 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -111.04 40.35 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 12.87 110.728 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.28 -172.7 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 11.46 110.861 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m 57.41 28.09 14.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 7.75 111.002 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.11 126.48 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 7.53 110.837 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tp -141.77 78.62 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 5.67 110.85 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.8 109.39 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 3.86 110.838 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.08 145.4 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 4.31 111.056 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.2 p -84.78 -85.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 1.93 110.942 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -161.72 134.38 6.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.35 -0.386 . . . . 1.23 110.906 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.58 137.71 24.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.62 111.231 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.559 ' HA ' HD23 ' A' ' 16' ' ' LEU . 11.8 mt -53.99 -27.41 16.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.744 -0.662 . . . . 0.65 110.965 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HD2' ' ND2' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -55.56 -30.42 60.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.338 -0.392 . . . . 2.82 110.872 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.83 -28.59 33.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 1.51 111.119 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 13' ' ' ILE . 3.5 mm? -52.66 117.72 11.5 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.279 -0.419 . . . . 0.93 110.714 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.55 122.2 10.86 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.563 2.175 . . . . 0.48 112.743 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.631 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -74.48 -49.03 5.2 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.889 -0.596 . . . . 1.64 111.65 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.3 Cg_endo -53.34 -26.62 35.69 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.261 1.974 . . . . 0.59 112.693 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.0 t -85.85 -46.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.65 110.76 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -61.42 -14.39 27.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 3.62 110.885 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.0 -31.37 63.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.48 111.166 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.94 80.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 2.14 110.836 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.734 HD12 ' HB3' ' A' ' 95' ' ' LEU . 3.1 tt -72.75 -40.62 65.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 1.51 110.799 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.7 m -59.97 -45.42 92.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 0.55 110.025 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.16 89.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.72 -0.673 . . . . 0.52 110.64 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -60.4 -54.55 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.568 -0.742 . . . . 0.72 110.81 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD23 HD23 ' A' ' 24' ' ' LEU . 4.1 mm? -59.83 -32.65 70.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.806 -0.634 . . . . 1.09 111.168 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -61.33 -33.13 73.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 1.2 110.965 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.72 79.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.68 111.107 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -12.26 61.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 1.16 111.025 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 54.9 34.57 22.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 2.03 111.219 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.36 22.6 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.54 111.076 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -64.05 -36.74 84.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.5 111.089 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.24 -32.56 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 2.32 110.791 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.87 -27.74 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 3.29 110.812 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -65.29 -57.08 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.65 110.364 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.18 -55.75 16.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.939 -0.573 . . . . 0.41 111.055 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -60.79 -33.8 73.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.966 -0.561 . . . . 0.51 111.501 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.33 -35.12 64.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.38 . . . . 0.47 111.378 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -105.76 6.32 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 0.5 111.096 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.4 85.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.045 -0.525 . . . . 2.14 110.841 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.41 163.93 14.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 1.03 111.027 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -69.98 131.0 89.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 1.41 110.666 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.3 -21.47 44.34 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.45 2.1 . . . . 1.32 112.199 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -33.41 75.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 2.01 110.685 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -77.46 -34.29 54.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 1.94 110.664 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.701 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.7 t -63.72 -36.65 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.88 111.001 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.36 -46.77 88.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 2.44 111.058 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -37.79 78.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 2.12 111.286 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 48' ' ' VAL . 24.9 mt -63.9 -62.62 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.432 -0.349 . . . . 0.47 111.115 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -53.18 -28.4 26.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.203 -0.453 . . . . 1.42 111.081 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -58.63 -65.82 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 0.93 110.907 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.92 -33.73 74.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 2.48 110.84 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 1.7 tmmt? -59.59 -22.15 61.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 1.77 111.064 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -5.94 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 3.02 111.477 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.03 71.57 1.14 Allowed 'General case' 0 C--O 1.233 0.203 0 N-CA-C 111.636 0.236 . . . . 2.99 111.636 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.17 81.09 0.03 OUTLIER Glycine 0 C--N 1.332 0.361 0 CA-C-N 116.15 -0.477 . . . . 2.05 113.312 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.66 -7.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.601 0.238 . . . . 5.55 111.185 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . 1.3 m 60.2 107.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.162 -0.472 . . . . 1.51 110.856 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -60.29 -37.72 81.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.39 111.505 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.8 m -64.82 -37.02 86.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.66 111.038 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.531 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 2.4 t-20 -61.39 -53.88 50.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.79 110.852 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -64.61 -37.0 86.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.72 110.581 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.77 -48.66 79.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.5 110.776 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.98 -36.36 83.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.65 111.031 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -62.81 -21.89 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 1.48 111.414 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.8 mt -97.32 -53.43 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.43 -0.35 . . . . 0.52 111.397 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -71.27 -54.02 12.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.63 110.756 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.408 ' CA ' HG21 ' A' ' 13' ' ' ILE . . . -88.76 91.41 1.72 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.783 -0.722 . . . . 1.08 112.382 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 157.18 -49.27 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.822 -0.704 . . . . 1.54 112.394 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -86.39 -47.32 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 1.99 110.682 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -70.14 -20.13 63.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 1.53 110.605 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.457 ' ND2' ' HD2' ' A' ' 14' ' ' ARG . 9.8 t-20 57.02 53.17 8.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 3.1 111.052 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -78.37 177.68 8.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 2.8 110.957 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.5 p -98.49 159.35 15.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.799 -0.637 . . . . 1.17 111.398 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.413 HG22 HD21 ' A' ' 16' ' ' LEU . 2.5 t -64.94 -32.57 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 1.25 111.014 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -59.81 -42.77 94.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.029 -0.532 . . . . 2.24 111.188 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -45.37 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.71 111.19 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.45 HD23 HD13 ' A' ' 96' ' ' ILE . 64.9 tp -61.78 -40.57 95.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.5 111.289 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.93 -58.65 7.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.73 111.299 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.36 -23.54 64.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.67 111.415 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.58 -45.7 78.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.23 110.973 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -58.64 -35.57 72.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.46 111.041 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -53.36 -29.19 33.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 1.59 111.302 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -45.41 87.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 2.31 110.813 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.9 mt -94.14 3.88 54.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 1.57 111.028 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 56.95 48.45 15.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 2.87 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.487 HD13 HD11 ' A' ' 28' ' ' LEU . 5.0 mt -90.09 75.69 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.31 110.874 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.0 -29.2 42.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 1.84 111.082 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -70.38 -53.58 16.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 1.98 110.86 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.86 -34.21 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.42 111.32 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.0 mtm -60.04 -63.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 1.29 111.442 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -16.2 10.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.197 -0.456 . . . . 3.39 111.653 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.734 ' HB3' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -70.94 -40.57 71.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.743 0.306 . . . . 0.79 110.857 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.45 HD13 HD23 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -126.72 54.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 1.29 111.145 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.552 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -90.5 -39.77 12.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 2.85 111.069 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.5 3.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 1.64 111.401 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -108.9 -10.42 15.09 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.794 0.294 . . . . 1.13 111.794 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -99.07 -163.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.671 0.272 . . . . 1.37 111.017 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -175.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.192 0.52 . . . . 2.53 111.69 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -93.14 -4.58 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 4.26 110.851 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.18 -14.98 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 3.15 111.272 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.42 ' H ' HD22 ' A' ' 104' ' ' LEU . 0.6 OUTLIER -85.35 -25.97 26.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 1.91 110.806 179.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.429 ' HA ' HD13 ' A' ' 108' ' ' ILE . 10.4 m-70 -68.08 81.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.379 . . . . 3.15 110.501 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.34 -42.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 3.43 111.182 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -90.31 -13.45 35.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 2.46 110.612 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 105' ' ' HIS . 0.8 OUTLIER -51.54 120.94 16.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 2.67 110.752 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.76 155.58 21.8 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.414 2.076 . . . . 3.11 112.29 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.264 -0.874 . . . . 7.27 110.868 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.477 -0.249 . . . . 14.04 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.36 89.65 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 13.39 110.868 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -83.89 -61.75 1.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 12.87 110.856 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.449 ' HG2' ' H ' ' A' ' 4' ' ' MET . 2.4 ptt? -76.93 152.15 35.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 11.46 110.794 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.25 -174.76 4.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.291 -0.413 . . . . 7.75 111.068 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.39 -157.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 7.53 110.698 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.92 161.82 4.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.931 0.396 . . . . 5.67 110.976 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.54 -147.7 0.42 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.048 -0.524 . . . . 3.86 110.758 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.17 160.68 0.12 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.056 0.455 . . . . 4.31 111.113 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -175.18 3.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.967 -0.56 . . . . 1.93 111.142 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.24 125.91 23.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 1.23 110.948 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.04 145.26 10.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.62 111.174 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.44 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.8 mt -53.54 -28.1 15.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 0.65 110.758 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -41.03 69.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 2.82 110.622 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -38.39 90.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 1.51 110.676 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.674 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.42 110.69 1.92 Allowed Pre-proline 0 C--O 1.232 0.164 0 CA-C-N 116.144 -0.48 . . . . 0.93 110.825 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.13 123.94 15.06 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.521 2.147 . . . . 0.48 112.454 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.437 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -59.31 -47.04 98.97 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.054 -0.521 . . . . 1.64 111.537 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 77.2 Cg_exo -48.37 -32.1 19.24 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.255 1.97 . . . . 0.59 112.478 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.561 HG11 ' OH ' ' A' ' 99' ' ' TYR . 45.9 t -84.92 -33.08 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.65 110.624 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.674 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -58.12 -36.93 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.984 -0.553 . . . . 3.62 110.793 179.454 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.04 46.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 0.48 111.598 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.78 -44.97 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.431 -0.35 . . . . 2.14 110.943 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.621 HD23 HD13 ' A' ' 95' ' ' LEU . 2.6 tm? -80.63 -33.36 35.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 1.51 110.781 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.1 m -59.27 -43.0 92.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.55 110.332 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.99 97.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.883 -0.599 . . . . 0.52 110.733 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' HD2' HD22 ' A' ' 28' ' ' LEU . 78.2 t60 -60.44 -52.75 63.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 0.72 111.46 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.498 HD23 ' CD1' ' A' ' 24' ' ' LEU . 4.1 mm? -59.04 -52.65 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 1.09 111.391 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.75 -20.67 66.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 1.2 111.28 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.44 -35.75 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.68 110.782 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -0.64 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 1.16 110.854 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.12 49.64 11.16 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.055 -0.52 . . . . 2.03 110.695 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.96 26.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.54 111.329 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.603 ' HA ' HD12 ' A' ' 37' ' ' LEU . 56.4 p-90 -58.34 -29.04 65.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.921 0.391 . . . . 0.5 110.598 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -62.8 -30.5 71.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.57 . . . . 2.32 110.75 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -71.22 -40.39 71.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.905 -0.589 . . . . 3.29 110.952 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 34' ' ' TRP . 11.0 mt -56.91 -54.79 42.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.65 110.792 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.23 -64.81 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.41 111.575 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -60.07 -25.54 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.51 112.094 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -54.0 -36.26 62.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.916 0.388 . . . . 0.47 110.719 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -4.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.988 -0.551 . . . . 0.5 110.033 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.46 97.68 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.345 -0.843 . . . . 2.14 111.546 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.75 163.1 25.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 1.03 110.656 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -69.26 137.63 89.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 1.41 110.277 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.79 -13.72 9.17 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.554 2.169 . . . . 1.32 112.509 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.5 -36.81 83.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 2.01 110.568 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -78.21 -37.65 44.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 1.94 110.487 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 51' ' ' ILE . 5.2 t -64.12 -33.08 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.88 111.028 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.8 -44.92 96.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 2.44 110.952 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.95 -31.14 69.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 2.12 110.809 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 48' ' ' VAL . 20.5 mt -76.22 -55.17 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.47 111.284 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.7 p -53.77 -40.25 66.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 1.42 111.395 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -64.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.93 111.308 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -60.78 -26.86 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 2.48 111.197 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -60.5 -35.54 76.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 1.77 110.947 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -30.38 69.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 3.02 111.254 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 57' ' ' ARG . 1.6 mtt85 -92.9 70.46 4.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.36 . . . . 2.99 110.974 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.82 68.63 0.39 Allowed Glycine 0 C--N 1.331 0.27 0 CA-C-N 115.561 -0.745 . . . . 2.05 113.345 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -145.15 160.83 40.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 5.55 110.969 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' ' 63' ' ' ASN . 70.2 m -98.3 124.58 43.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 1.51 110.824 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.69 80.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.39 111.204 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -65.3 -36.88 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.66 110.898 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.48 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 0.9 OUTLIER -60.6 -52.57 64.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 1.79 110.839 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -64.65 -38.38 90.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 1.72 110.523 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -57.6 -46.52 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.5 110.738 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.91 -33.94 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.65 111.325 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -63.44 -32.59 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 1.48 111.734 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.0 mt -91.52 -40.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.495 -0.32 . . . . 0.52 111.753 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.7 t90 -71.5 -21.58 61.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.63 111.105 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -111.09 72.57 0.21 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.708 -0.758 . . . . 1.08 112.469 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.57 -67.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.55 -0.833 . . . . 1.54 112.595 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -71.17 -13.12 61.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.672 0.272 . . . . 1.99 111.159 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -111.28 -25.6 9.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 1.53 110.91 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.2 t30 55.6 53.05 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 3.1 111.061 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -162.57 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 2.8 110.713 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.9 p -142.88 166.76 23.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.824 0.345 . . . . 1.17 111.014 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -63.87 -13.7 13.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 1.25 111.474 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -60.25 -67.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 2.24 110.821 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 m -55.14 -33.89 63.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.71 110.993 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 50.4 tp -60.94 -40.08 91.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 0.5 110.763 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.02 -52.27 63.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.027 -0.533 . . . . 0.73 111.106 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -17.29 57.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.67 111.903 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 24.9 tp -65.4 -57.13 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.618 -0.265 . . . . 1.23 111.012 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -58.39 -28.2 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.46 111.066 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.99 -33.33 56.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 1.59 111.255 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -58.23 -41.86 85.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 2.31 111.148 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.419 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -92.2 -0.26 57.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 1.57 111.038 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mttt 55.86 46.19 22.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 2.87 110.824 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.419 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 18.0 mt -89.13 83.04 6.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 1.31 110.85 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -15.01 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 1.84 111.477 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.03 -48.68 8.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 1.98 111.05 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.46 71.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.42 111.638 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.542 ' HG3' ' H ' ' A' ' 94' ' ' ARG . 10.7 ptp -59.83 -58.81 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.511 -0.313 . . . . 1.29 111.303 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.542 ' H ' ' HG3' ' A' ' 93' ' ' MET . 5.5 ptp180 -59.16 -15.77 16.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.394 -0.366 . . . . 3.39 111.25 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.621 HD13 HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -72.75 -40.9 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.79 111.07 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.15 43.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.359 -0.382 . . . . 1.29 111.321 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.4 ptpt -88.49 -33.0 17.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 2.85 110.829 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.08 2.16 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 1.64 111.51 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.561 ' OH ' HG11 ' A' ' 20' ' ' VAL . 92.7 m-85 -111.29 -8.32 14.36 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.935 0.346 . . . . 1.13 111.935 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -98.6 -165.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.672 0.272 . . . . 1.37 111.054 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.03 144.6 14.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.34 -0.391 . . . . 2.53 111.125 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.96 -6.77 51.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 4.26 111.011 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -67.21 -18.67 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 3.15 110.96 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 mp -85.0 31.98 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 1.91 111.016 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.569 ' HA ' HD13 ' A' ' 108' ' ' ILE . 24.1 m-70 -124.38 79.51 1.75 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 3.15 110.526 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.39 -33.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 3.43 110.888 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -91.58 -5.7 53.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.786 -0.643 . . . . 2.46 110.429 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.569 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.6 mp -51.08 120.02 13.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.585 -0.734 . . . . 2.67 111.1 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -86.17 135.53 4.6 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.661 2.241 . . . . 3.11 112.477 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.237 -0.887 . . . . 7.27 110.875 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.459 -0.257 . . . . 14.04 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.96 132.26 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.968 0.414 . . . . 13.39 111.087 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.56 179.79 7.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 12.87 110.935 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.9 mtm 56.38 78.41 0.21 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 11.46 111.033 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -104.59 73.44 1.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.091 -0.504 . . . . 7.75 110.882 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.407 ' H ' ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -165.56 -0.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 7.53 110.894 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.407 ' H ' ' H ' ' A' ' 6' ' ' HIS . 27.3 mt -113.24 -169.7 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 5.67 110.842 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.84 129.9 39.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 3.86 110.924 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.69 147.25 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 4.31 110.86 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.84 -82.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 1.93 111.081 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.449 ' O ' HG23 ' A' ' 77' ' ' VAL . 4.0 ptm -161.53 120.31 2.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 1.23 110.839 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.55 153.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.62 110.754 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.637 ' H ' ' HB2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -51.88 -26.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.65 110.903 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -54.16 -39.03 66.17 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.315 -0.402 . . . . 2.82 110.477 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -47.24 67.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.522 . . . . 1.51 110.033 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.572 HD13 ' HD2' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -53.3 112.47 3.66 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.86 -0.609 . . . . 0.93 110.76 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.572 ' HD2' HD13 ' A' ' 16' ' ' LEU . 75.5 Cg_exo -50.27 111.24 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.31 2.007 . . . . 0.48 112.305 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.615 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -53.95 -48.85 92.53 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.039 -0.528 . . . . 1.64 111.734 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.2 Cg_endo -51.96 -26.03 23.76 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.199 1.933 . . . . 0.59 112.22 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.57 -41.62 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.65 110.477 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.503 HH12 HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -58.41 -33.88 70.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 3.62 110.69 179.342 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.85 -28.28 63.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 0.48 111.329 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.95 -47.98 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 2.14 110.805 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' A' ' 95' ' ' LEU . 8.0 tt -69.82 -41.17 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 1.51 110.754 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.7 m -57.86 -40.78 80.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.55 110.297 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.17 98.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.851 -0.613 . . . . 0.52 110.779 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -62.44 -60.34 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.663 -0.699 . . . . 0.72 111.396 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 92' ' ' ALA . 4.0 mm? -58.45 -43.52 88.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.902 -0.59 . . . . 1.09 111.606 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.12 -29.72 70.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 1.2 111.199 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.11 -27.8 67.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.38 . . . . 0.68 110.876 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.94 0.85 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.525 . . . . 1.16 110.935 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.79 48.05 11.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.126 -0.488 . . . . 2.03 110.788 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.6 22.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.54 111.297 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.757 ' HA ' HD12 ' A' ' 37' ' ' LEU . 47.6 p-90 -60.72 -29.21 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.5 110.815 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -26.11 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 2.32 110.986 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.451 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -71.91 -41.4 67.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 3.29 110.935 -179.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' A' ' 34' ' ' TRP . 3.1 mt -59.63 -55.47 33.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.897 0.38 . . . . 0.65 110.566 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.96 -59.47 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.41 111.588 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -60.01 -32.33 70.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.13 -0.486 . . . . 0.51 111.717 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.76 -36.27 64.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.514 -0.312 . . . . 0.47 111.324 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 m -107.38 8.53 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 0.5 111.12 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.87 102.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.085 -0.507 . . . . 2.14 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mt -127.19 152.43 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.03 111.091 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -69.96 133.05 88.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 1.41 110.726 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.64 -29.18 78.5 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.415 2.077 . . . . 1.32 112.227 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -31.27 72.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 2.01 110.372 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -77.86 -29.73 50.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 1.94 110.176 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 51' ' ' ILE . 37.6 t -63.74 -33.33 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.88 110.572 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -43.24 99.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.952 -0.567 . . . . 2.44 110.786 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.49 -42.88 93.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 2.12 110.88 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 48' ' ' VAL . 13.7 mt -65.57 -51.25 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.021 -0.536 . . . . 0.47 111.167 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -54.68 -37.39 65.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 1.42 111.401 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -57.61 -56.7 18.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.93 111.268 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -61.43 -34.58 75.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 2.48 111.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -26.99 67.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 1.77 111.272 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -33.15 69.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 3.02 111.348 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -93.17 70.43 4.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.529 -0.305 . . . . 2.99 110.963 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 34.31 57.96 0.69 Allowed Glycine 0 C--N 1.332 0.333 0 CA-C-N 115.742 -0.663 . . . . 2.05 113.476 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.45 177.61 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 5.55 111.152 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.7 p -110.14 123.69 50.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.085 -0.507 . . . . 1.51 110.773 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.98 76.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.39 111.493 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.4 m -64.58 -29.64 70.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.66 111.139 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.88 -59.42 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 1.79 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -36.15 83.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 1.72 110.552 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -57.47 -41.96 81.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.5 110.493 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -38.44 91.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.65 110.911 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -62.98 -58.35 7.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 1.48 111.332 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.8 -34.12 61.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.52 111.673 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.2 t90 -71.44 -25.77 62.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.771 0.32 . . . . 0.63 111.039 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -108.27 88.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 1.08 112.432 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 162.94 -22.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.002 -0.618 . . . . 1.54 112.259 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -154.19 16.59 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.856 0.36 . . . . 1.99 110.779 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -139.56 31.35 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.53 110.905 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.77 88.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.87 -0.605 . . . . 3.1 111.433 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.637 ' HB2' ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -76.72 116.83 17.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.589 . . . . 2.8 111.144 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.56 122.75 7.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.261 -0.427 . . . . 1.17 111.035 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 11' ' ' MET . 13.8 t -63.2 -24.16 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 1.25 111.154 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -51.45 69.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 2.24 110.645 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.2 m -55.45 -32.95 63.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.71 111.228 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 tp -61.74 -48.13 82.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.5 111.198 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.43 -52.66 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.73 110.949 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.38 -18.1 57.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.67 111.343 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -59.88 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 1.23 110.983 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -58.26 -26.43 62.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.463 . . . . 0.46 111.143 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -36.69 61.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 1.59 111.024 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -58.9 -42.69 90.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 2.31 110.993 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 1.5 mt -92.43 -0.87 57.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 1.57 110.849 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mttm 54.52 45.27 27.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 2.87 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.471 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 19.6 mt -88.82 80.33 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.31 110.96 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -55.01 -24.2 23.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 1.84 110.955 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -67.21 -61.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 1.98 111.109 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' A' ' 28' ' ' LEU . . . -53.58 -43.99 69.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.221 -0.445 . . . . 0.42 111.359 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.9 mtp -58.91 -51.14 71.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 1.29 110.88 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -59.78 -14.61 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 3.39 111.325 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -81.63 -24.92 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.516 -0.311 . . . . 0.79 111.243 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.503 HG21 HH12 ' A' ' 21' ' ' ARG . 0.9 OUTLIER -130.3 68.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.991 0.425 . . . . 1.29 111.711 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 -46.68 4.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 2.85 110.746 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.48 3.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 1.64 111.522 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.48 -20.72 13.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.569 -0.287 . . . . 1.13 111.257 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.4 m -97.95 -177.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.433 -0.349 . . . . 1.37 110.93 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.431 ' O ' HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -54.43 159.74 1.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 2.53 111.307 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -77.53 -12.03 59.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 4.26 110.742 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -2.3 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 3.15 111.0 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 101' ' ' SER . 4.4 mm? -82.83 -7.28 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 1.91 110.999 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 66.9 m170 -74.04 82.81 1.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.358 -0.383 . . . . 3.15 110.544 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.11 -33.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 3.43 111.29 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -90.02 -22.22 21.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 2.46 110.54 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.7 mp -51.9 112.11 2.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.656 -0.702 . . . . 2.67 110.916 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.18 152.46 30.88 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.383 2.056 . . . . 3.11 112.477 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.166 -0.921 . . . . 7.27 110.864 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.522 -0.231 . . . . 14.04 112.522 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 p -152.52 -28.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.33 . . . . 13.39 110.956 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.62 -178.08 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 12.87 110.833 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.0 ttt -119.7 139.06 52.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 11.46 110.776 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.17 179.16 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.134 -0.484 . . . . 7.75 111.142 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -109.27 125.34 52.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 7.53 110.877 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.32 -60.14 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 5.67 110.821 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.09 88.5 4.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 3.86 110.852 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.01 126.01 53.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 4.31 110.854 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p -123.85 -102.46 0.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 1.93 111.122 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.94 136.1 6.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.705 0.288 . . . . 1.23 110.901 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.96 150.52 5.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.62 111.1 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.425 HD12 ' HB3' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -60.8 -28.01 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.65 110.809 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -55.84 -29.45 59.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.237 -0.438 . . . . 2.82 110.737 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -34.68 67.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 1.51 110.765 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.578 ' HB3' HH11 ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.01 109.34 1.32 Allowed Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.057 -0.52 . . . . 0.93 110.724 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -51.2 122.9 10.86 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.53 2.153 . . . . 0.48 112.486 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -59.09 -50.86 85.61 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.161 -0.472 . . . . 1.64 111.645 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.7 Cg_endo -52.01 -26.81 26.49 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.215 1.943 . . . . 0.59 112.102 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.516 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 80.8 t -85.9 -40.23 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.032 -0.531 . . . . 0.65 110.528 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.578 HH11 ' HB3' ' A' ' 16' ' ' LEU . 3.4 ttp180 -61.51 -28.92 69.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.103 -0.499 . . . . 3.62 110.971 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.41 -37.84 73.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.75 -0.659 . . . . 0.48 112.691 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 6.0 pt20 -66.84 -34.47 77.87 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.959 -0.296 . . . . 2.14 111.265 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.634 HD13 HD22 ' A' ' 95' ' ' LEU . 39.1 tp -78.06 -38.27 44.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 1.51 110.784 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 80.2 m -59.51 -52.28 66.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.334 -0.394 . . . . 0.55 110.255 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -30.21 70.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.52 110.491 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -61.27 -64.63 0.89 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.993 -0.548 . . . . 0.72 110.817 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.62 -39.62 81.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 1.09 110.793 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.0 -24.35 67.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 1.2 110.971 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.45 -31.91 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.984 0.421 . . . . 0.68 110.479 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.58 1.91 7.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 1.16 110.674 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t0 58.53 45.57 16.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.053 -0.521 . . . . 2.03 110.569 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 36' ' ' GLN . 28.2 m -134.14 32.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.54 111.32 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -63.1 -37.86 88.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.5 110.517 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -23.78 67.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.961 -0.563 . . . . 2.32 110.822 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -71.41 -40.82 70.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 3.29 111.031 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.18 -54.88 40.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.65 110.672 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -50.92 -59.8 3.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.51 . . . . 0.41 111.374 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 m -60.32 -33.18 72.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 0.51 111.615 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.16 65.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 0.47 111.151 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 m -104.73 3.64 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.5 110.828 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.42 101.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.909 -0.587 . . . . 2.14 111.043 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 38' ' ' ALA . 8.6 mt -128.3 154.51 45.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 1.03 110.917 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -69.38 134.35 88.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.41 110.399 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.34 -18.75 25.68 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.418 2.079 . . . . 1.32 112.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -71.88 -31.79 66.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.421 . . . . 2.01 110.714 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -78.41 -33.11 48.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 1.94 110.747 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.715 ' HA ' HD12 ' A' ' 51' ' ' ILE . 5.4 t -64.36 -31.81 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.88 111.065 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.94 -46.19 90.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 2.44 110.883 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -59.27 -26.82 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 2.12 111.204 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 48' ' ' VAL . 30.2 mt -79.0 -62.44 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.407 . . . . 0.47 111.303 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.3 p -55.17 -12.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 1.42 111.747 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -56.85 -69.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.669 0.271 . . . . 0.93 111.147 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -62.85 -26.02 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 2.48 111.161 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 2.6 ttpt -60.16 -12.41 8.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 1.77 111.388 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.532 HE21 ' HD2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -61.51 -6.84 2.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.404 -0.362 . . . . 3.02 111.555 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.532 ' HD2' HE21 ' A' ' 56' ' ' GLN . 10.6 ptm180 -148.91 71.83 1.15 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.74 0.305 . . . . 2.99 111.282 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 43.21 79.09 0.06 OUTLIER Glycine 0 C--N 1.332 0.355 0 CA-C-N 116.026 -0.534 . . . . 2.05 113.184 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.553 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -137.26 143.57 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 5.55 111.015 179.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.5 t -65.98 100.61 0.59 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.167 -0.469 . . . . 1.51 111.051 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.12 92.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.39 111.308 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.8 m -64.01 -26.05 68.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.66 111.01 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -61.09 -52.49 64.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 1.79 110.546 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -40.72 92.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 1.72 110.591 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.95 -43.21 81.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 0.5 110.68 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.476 HD12 ' NE ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -64.42 -34.7 78.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.65 110.824 179.551 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -63.42 -55.25 25.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 1.48 111.48 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.88 -45.43 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 0.52 111.628 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -71.6 -14.8 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.63 111.013 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.71 96.58 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.685 -0.769 . . . . 1.08 112.641 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.41 -44.16 1.25 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.779 -0.724 . . . . 1.54 112.281 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -73.34 -27.18 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 1.99 110.742 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -113.06 -11.74 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 1.53 110.944 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 57.84 55.13 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 3.1 110.955 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -77.34 -162.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 2.8 110.806 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.93 163.98 34.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 1.17 111.187 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 77' ' ' VAL . 2.7 m -62.69 -19.18 22.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 1.25 111.402 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -58.55 -63.08 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 2.24 110.777 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -55.36 -34.54 64.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.71 111.245 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 48.4 tp -61.05 -44.16 97.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.244 -0.435 . . . . 0.5 110.776 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -62.11 -57.34 11.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.73 110.82 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.94 -17.26 61.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.989 -0.551 . . . . 0.67 111.755 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' A' ' 80' ' ' LEU . 16.5 tp -65.49 -52.53 52.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 1.23 110.966 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -58.6 -32.35 68.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.46 111.167 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -53.62 -27.32 26.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 1.59 111.18 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -57.57 -52.73 64.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 2.31 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.34 3.07 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 1.57 110.836 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt 58.55 52.73 6.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.997 -0.547 . . . . 2.87 111.036 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.8 mt -90.64 73.6 6.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 1.31 111.024 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -54.4 -27.87 39.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 1.84 111.148 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -66.21 -60.13 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 1.98 111.08 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.48 -34.76 59.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.074 -0.512 . . . . 0.42 111.459 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.9 mtp -59.01 -53.09 62.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 1.29 111.172 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -56.95 -28.37 62.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 3.39 111.465 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.634 HD22 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.4 -35.73 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.79 111.194 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 pt -120.25 31.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 1.29 111.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' HE3' HG13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -88.04 51.65 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.969 0.414 . . . . 2.85 110.86 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.1 11.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.947 -0.57 . . . . 1.64 111.521 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -114.91 -5.98 12.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.046 0.451 . . . . 1.13 110.468 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.3 -170.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.797 -0.638 . . . . 1.37 111.061 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.52 164.84 0.65 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 2.53 111.184 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -93.44 -5.09 50.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 4.26 110.833 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -27.35 66.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.53 . . . . 3.15 111.3 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.58 -6.3 59.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.444 -0.344 . . . . 1.91 111.215 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.612 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -77.77 83.18 4.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 3.15 110.517 179.579 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.4 -40.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 3.43 111.319 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -91.65 0.05 57.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 2.46 110.386 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.6 mp -51.16 124.05 21.43 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.727 -0.669 . . . . 2.67 110.849 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.41 146.7 81.19 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.374 2.049 . . . . 3.11 112.471 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.204 -0.903 . . . . 7.27 110.986 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 112.463 -0.255 . . . . 14.04 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -72.18 -21.24 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 13.39 110.966 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -63.46 155.26 29.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 12.87 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -148.23 105.18 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 11.46 110.78 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.9 -26.15 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 7.75 111.002 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 m170 56.12 82.64 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 7.53 110.874 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.32 -45.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 5.67 110.976 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -124.99 121.68 35.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.477 . . . . 3.86 110.982 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -129.91 106.02 8.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 4.31 110.877 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.4 p -124.78 -131.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 1.93 110.94 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 ptm -161.41 130.19 4.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 1.23 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HB3' ' HG2' ' A' ' 14' ' ' ARG . . . -51.02 149.11 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.62 111.501 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 75' ' ' HIS . 3.1 mt -56.76 -22.04 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.588 -0.733 . . . . 0.65 110.938 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.534 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 14.9 ptm180 -56.72 -10.65 1.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.337 -0.392 . . . . 2.82 111.395 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.406 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.9 tt -103.53 -30.97 10.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.782 -0.451 . . . . 1.51 109.782 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.559 HD12 ' HD3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -51.14 104.82 0.45 Allowed Pre-proline 0 C--O 1.231 0.121 0 CA-C-N 115.828 -0.624 . . . . 0.93 110.438 179.418 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HB2' HG23 ' A' ' 20' ' ' VAL . 23.6 Cg_exo -67.09 135.26 36.78 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.813 2.342 . . . . 0.48 112.466 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.614 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.1 tp -59.22 -49.42 92.97 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.846 -0.616 . . . . 1.64 112.147 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 9.4 Cg_endo -52.64 -29.78 42.81 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.106 1.871 . . . . 0.59 112.698 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 17' ' ' PRO . 12.4 t -87.18 -41.79 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.65 111.13 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.559 ' HD3' HD12 ' A' ' 16' ' ' LEU . 13.9 ttp180 -60.08 -35.92 76.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 3.62 111.163 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.31 -22.99 45.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.48 111.425 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.77 -33.43 74.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 2.14 110.742 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD11 ' HB1' ' A' ' 92' ' ' ALA . 58.6 tp -91.21 -28.76 17.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 1.51 110.832 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m -61.48 -39.19 90.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.978 0.418 . . . . 0.55 110.306 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -46.28 91.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.52 110.662 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.55 -49.0 79.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.65 -0.704 . . . . 0.72 110.887 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD12 HD11 ' A' ' 37' ' ' LEU . 4.1 mm? -58.61 -46.05 87.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 1.09 111.411 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' HB2' ' OG ' ' A' ' 62' ' ' SER . 14.3 t70 -73.21 -19.43 61.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 1.2 111.167 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.54 78.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.68 110.773 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.98 -3.52 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 1.16 110.897 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 56.33 51.09 12.05 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.112 -0.495 . . . . 2.03 110.685 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.56 31.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.938 -0.574 . . . . 0.54 111.375 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -57.83 -31.21 66.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.5 110.76 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -28.86 70.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 2.32 110.897 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.494 ' OE1' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.94 -42.53 66.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 3.29 110.934 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD11 HD12 ' A' ' 28' ' ' LEU . 1.7 mt -58.03 -56.97 15.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.913 0.387 . . . . 0.65 110.599 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.76 -58.28 6.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.926 -0.579 . . . . 0.41 111.597 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 m -59.65 -31.7 69.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.092 -0.504 . . . . 0.51 111.724 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.51 -36.89 67.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.47 111.447 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.6 m -105.52 9.66 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.533 -0.303 . . . . 0.5 111.226 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.99 96.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 2.14 111.104 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mt -115.6 147.33 40.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 1.03 111.084 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.486 ' O ' HG23 ' A' ' 48' ' ' VAL . 92.3 m-85 -69.75 160.35 80.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 1.41 110.634 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 44' ' ' TYR . 32.3 Cg_endo -61.13 -37.85 71.78 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.55 2.167 . . . . 1.32 111.925 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -27.84 69.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 2.01 110.189 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -78.78 -42.29 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.882 -0.599 . . . . 1.94 110.581 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 44' ' ' TYR . 17.0 t -63.47 -49.19 83.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.88 110.814 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.94 -37.95 84.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 2.44 110.464 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -59.5 -43.25 93.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.9 -0.591 . . . . 2.12 110.942 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.88 -47.3 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.47 111.236 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -53.65 -38.19 63.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 1.42 111.292 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.18 -60.1 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.93 111.138 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -33.68 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 2.48 111.228 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 61' ' ' ALA . 2.6 tttm -59.43 -40.16 85.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.353 -0.385 . . . . 1.77 111.123 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -24.11 65.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 3.02 111.238 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -92.44 70.36 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.371 . . . . 2.99 110.931 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 35.6 48.23 0.93 Allowed Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.533 -0.758 . . . . 2.05 113.558 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -135.3 160.89 36.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 5.55 111.074 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.3 130.89 36.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 1.51 110.864 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB2' ' HE2' ' A' ' 55' ' ' LYS . . . -61.12 -36.04 78.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.39 111.163 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.421 ' OG ' ' HB2' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -64.56 -34.24 77.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.66 110.824 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -51.01 71.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 1.79 110.641 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -39.33 91.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 1.72 110.445 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.45 -48.69 78.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.953 -0.567 . . . . 0.5 110.894 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 66' ' ' LEU . 2.5 mm? -63.66 -29.94 71.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.65 110.872 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -63.9 -62.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 1.48 111.51 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.69 -46.57 94.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.52 111.774 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -70.87 -18.4 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.63 111.094 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.11 88.15 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.569 -0.824 . . . . 1.08 112.597 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.8 -41.17 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 1.54 112.612 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -111.75 -29.09 7.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 1.99 110.958 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.62 -14.89 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 1.53 110.845 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 54.53 44.21 29.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 3.1 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.468 ' HB3' HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -77.82 -168.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 2.8 111.023 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.448 HG22 ' HA ' ' A' ' 12' ' ' ALA . 53.7 p -142.82 165.62 26.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.407 -0.36 . . . . 1.17 110.786 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 99' ' ' TYR . 5.1 m -62.56 -19.73 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 1.25 111.409 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.55 -54.06 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 2.24 110.795 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.47 -37.6 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.71 111.246 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.95 -45.06 96.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.5 110.808 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.442 ' CD2' HG11 ' A' ' 100' ' ' VAL . 15.5 t80 -61.0 -46.54 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.73 110.792 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.31 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.67 111.113 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.7 -52.91 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 1.23 110.895 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -58.22 -28.51 64.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.46 111.424 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -53.97 -29.57 43.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.721 0.296 . . . . 1.59 111.006 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -59.31 -54.59 45.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 2.31 111.169 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.494 HD22 ' OE1' ' A' ' 36' ' ' GLN . 1.2 mp -92.58 -3.5 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 1.57 111.16 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 51.89 67.93 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 2.87 110.456 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 89' ' ' LEU . 4.3 mp -90.28 85.26 6.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 1.31 111.231 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -37.42 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 1.84 111.488 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -71.21 -59.46 2.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.425 . . . . 1.98 111.783 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.598 ' HB1' HD11 ' A' ' 24' ' ' LEU . . . -52.35 -32.98 40.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.4 . . . . 0.42 111.731 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 29.2 mtt -59.63 -47.33 86.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.391 -0.368 . . . . 1.29 111.383 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.579 ' HA ' ' HG3' ' A' ' 97' ' ' LYS . 34.3 mtp180 -57.85 -27.95 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 3.39 111.649 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.12 -31.65 71.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.478 -0.328 . . . . 0.79 111.463 -179.419 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.02 56.68 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 1.29 111.352 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.579 ' HG3' ' HA ' ' A' ' 94' ' ' ARG . 6.3 mmtp -96.73 -44.88 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 2.85 110.737 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.5 1.2 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.64 111.362 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' O ' HG21 ' A' ' 77' ' ' VAL . 78.5 m-85 -106.53 -20.15 13.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.547 -0.297 . . . . 1.13 111.42 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 81' ' ' PHE . 3.5 m -97.35 -179.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.774 0.321 . . . . 1.37 110.923 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.594 ' O ' HD12 ' A' ' 104' ' ' LEU . 12.2 m -53.84 145.84 15.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 2.53 111.134 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -81.56 -9.4 59.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 4.26 110.696 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -12.92 61.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 3.15 110.845 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.594 HD12 ' O ' ' A' ' 101' ' ' SER . 1.5 mt -83.86 -18.49 37.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 1.91 110.79 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.684 ' HA ' HD13 ' A' ' 108' ' ' ILE . 15.8 m-70 -67.58 83.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 3.15 110.632 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.13 -42.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 3.43 110.938 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -90.8 -10.61 42.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 2.46 110.38 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.684 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.3 mp -51.09 122.03 16.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.739 -0.664 . . . . 2.67 110.926 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.25 175.56 11.18 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.4 2.067 . . . . 3.11 112.415 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.264 -0.874 . . . . 7.27 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 N-CA-C 112.574 -0.21 . . . . 14.04 112.574 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -42.81 24.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 13.39 111.021 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 57.08 69.2 0.76 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.503 . . . . 12.87 111.023 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.1 mtp -85.21 146.82 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 11.46 110.86 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.94 128.95 5.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 7.75 110.95 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.09 -170.17 0.13 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.085 -0.507 . . . . 7.53 111.185 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mt 58.39 45.4 16.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.954 -0.566 . . . . 5.67 111.187 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.06 78.63 6.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 3.86 110.786 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -108.46 118.75 37.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 4.31 111.062 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 m -146.71 -90.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 1.93 110.899 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.6 ptm -161.97 125.23 3.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.369 . . . . 1.23 111.046 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' HB1' ' OD1' ' A' ' 74' ' ' ASN . . . -52.9 146.47 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.62 111.271 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.65 -23.57 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 0.65 110.523 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -27.19 39.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.957 -0.565 . . . . 2.82 110.681 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.51 -33.14 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 1.51 110.32 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.583 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -50.46 105.13 0.48 Allowed Pre-proline 0 C--N 1.333 -0.119 0 CA-C-N 116.021 -0.536 . . . . 0.93 110.596 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.58 ' HB2' HG23 ' A' ' 20' ' ' VAL . 36.3 Cg_exo -61.61 126.8 19.94 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.436 2.091 . . . . 0.48 112.421 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.646 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -57.13 -48.07 98.02 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.825 -0.625 . . . . 1.64 112.058 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 2.8 Cg_endo -45.61 -27.85 3.92 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.5 2.133 . . . . 0.59 112.543 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.58 HG23 ' HB2' ' A' ' 17' ' ' PRO . 3.1 t -85.73 -43.68 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 0.65 110.766 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.583 ' HG2' HD12 ' A' ' 16' ' ' LEU . 9.1 mtm180 -59.65 -29.44 68.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 3.62 110.633 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.3 -33.47 69.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 0.48 111.665 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -67.22 -42.12 84.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.392 -0.367 . . . . 2.14 111.175 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' O ' HD23 ' A' ' 28' ' ' LEU . 31.1 tp -77.24 -33.87 55.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.297 -0.41 . . . . 1.51 111.206 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.4 m -61.3 -44.9 96.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.423 . . . . 0.55 110.207 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.84 97.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.672 -0.695 . . . . 0.52 110.582 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.478 ' HD2' HD22 ' A' ' 28' ' ' LEU . 64.0 t60 -59.58 -49.51 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.559 -0.746 . . . . 0.72 110.998 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.5 mm? -59.27 -32.22 69.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 1.09 111.106 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.48 -33.14 73.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 1.2 110.907 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.61 -37.33 79.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.68 110.97 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.8 -14.94 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 1.16 110.998 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.63 58.71 4.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 2.03 111.139 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 m -138.08 32.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.54 111.267 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.509 ' HA ' HD12 ' A' ' 37' ' ' LEU . 42.9 p-90 -67.64 -35.05 78.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.371 -0.377 . . . . 0.5 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -39.08 93.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 2.32 110.914 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -72.28 -35.45 68.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 3.29 110.938 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 34' ' ' TRP . 16.5 mt -59.58 -54.52 45.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.999 0.428 . . . . 0.65 110.13 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.46 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.846 -0.615 . . . . 0.41 111.456 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -59.27 -23.66 62.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.03 -0.532 . . . . 0.51 112.118 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -52.72 -32.91 45.43 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.832 0.349 . . . . 0.47 110.731 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 m -106.12 -5.94 10.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.5 110.268 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.48 100.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.581 -0.736 . . . . 2.14 111.597 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.4 178.32 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 1.03 110.919 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -69.41 161.81 71.02 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 1.41 110.591 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.35 -29.73 13.55 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.415 2.076 . . . . 1.32 111.84 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -64.08 -23.51 67.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 2.01 110.617 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.92 -51.23 10.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.527 . . . . 1.94 110.512 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.2 t -63.48 -44.79 98.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.88 110.737 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -45.41 94.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 2.44 110.707 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -58.83 -37.94 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 2.12 111.088 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.5 mt -68.96 -57.31 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 0.47 111.203 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -53.39 -35.61 60.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.417 . . . . 1.42 111.057 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.6 t -58.37 -59.13 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.93 111.095 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.492 ' HB3' ' HD2' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -61.43 -33.56 73.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 2.48 111.232 -179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 2.2 ttpt -60.58 -26.34 66.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 1.77 111.429 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.99 3.3 0.41 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.503 -0.317 . . . . 3.02 111.744 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' H ' ' C ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -138.57 71.69 1.39 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.688 0.28 . . . . 2.99 110.938 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.5 72.12 0.32 Allowed Glycine 0 C--N 1.333 0.416 0 CA-C-N 116.045 -0.525 . . . . 2.05 113.025 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.492 ' HD2' ' HB3' ' A' ' 54' ' ' GLN . 5.5 mtm-85 -148.3 153.56 38.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 5.55 111.044 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -90.76 121.72 32.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.549 . . . . 1.51 110.787 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.66 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.39 111.124 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -35.99 82.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.66 110.796 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -52.86 63.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.696 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.57 -38.93 92.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.72 110.639 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -57.81 -45.56 85.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.942 -0.572 . . . . 0.5 111.041 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.16 -33.19 75.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.65 111.111 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.24 -38.34 90.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 1.48 111.644 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.8 mt -87.0 -50.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.321 . . . . 0.52 111.774 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -70.19 -53.29 17.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.394 -0.366 . . . . 0.63 111.026 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.76 72.79 1.42 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.705 -0.759 . . . . 1.08 112.477 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.52 -76.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 1.54 112.563 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.07 -27.98 66.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.789 0.328 . . . . 1.99 110.97 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -81.52 -28.75 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 1.53 110.914 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.467 ' OD1' ' HB1' ' A' ' 12' ' ' ALA . 52.6 t30 54.53 54.78 8.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.128 -0.487 . . . . 3.1 110.839 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -178.73 5.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 2.8 111.205 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.44 148.53 21.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.548 . . . . 1.17 111.375 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 16' ' ' LEU . 7.6 m -64.75 -27.15 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 1.25 110.997 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -59.4 -42.71 92.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 2.24 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -54.87 -34.76 63.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.71 111.056 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.95 -45.65 93.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.538 . . . . 0.5 110.966 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.414 ' HB2' HG11 ' A' ' 100' ' ' VAL . 8.9 t80 -62.22 -57.55 11.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.73 111.133 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.22 -16.93 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 0.67 111.653 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.8 tp -66.48 -59.46 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.518 -0.31 . . . . 1.23 110.978 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -58.28 -22.15 51.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.46 111.455 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -37.89 62.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.342 -0.39 . . . . 1.59 110.896 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -59.02 -39.18 81.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 2.31 110.974 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.17 -1.87 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 1.57 111.037 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt 57.12 40.09 28.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 2.87 111.069 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -89.26 72.72 8.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 1.31 110.891 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -53.26 -33.97 55.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 1.84 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -60.45 -56.53 20.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 1.98 110.885 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.457 ' HB1' HD11 ' A' ' 24' ' ' LEU . . . -53.12 -40.58 64.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.081 -0.509 . . . . 0.42 111.268 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.414 ' O ' HG13 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -60.95 -48.22 82.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 1.29 110.99 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -21.31 59.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 3.39 111.533 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.446 HD22 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.29 -26.91 68.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.512 -0.313 . . . . 0.79 111.508 -179.417 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 93' ' ' MET . 1.5 pt -108.95 -103.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.769 -0.196 . . . . 1.29 110.581 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.464 ' HZ3' ' HB3' ' A' ' 104' ' ' LEU . 4.5 mtpt 72.8 -51.77 0.71 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.168 0.432 . . . . 2.85 112.168 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -0.44 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.713 0.264 . . . . 1.64 111.713 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.432 ' O ' HG21 ' A' ' 77' ' ' VAL . 83.2 m-85 -111.37 -15.38 13.59 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.68 0.252 . . . . 1.13 111.68 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.414 HG11 ' HB2' ' A' ' 81' ' ' PHE . 1.4 m -97.34 -169.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 1.37 111.092 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.2 m -54.1 156.86 2.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.174 -0.466 . . . . 2.53 111.042 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -5.36 59.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 4.26 110.838 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -14.22 62.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.143 -0.48 . . . . 3.15 111.072 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.464 ' HB3' ' HZ3' ' A' ' 97' ' ' LYS . 1.2 mp -84.15 -25.72 29.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.475 . . . . 1.91 110.861 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.651 ' HA ' HD13 ' A' ' 108' ' ' ILE . 1.7 m-70 -69.18 81.0 0.34 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 3.15 110.621 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.435 ' H ' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -169.69 1.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 3.43 111.095 -179.652 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.435 ' H ' ' H ' ' A' ' 106' ' ' LYS . 22.9 p90 -151.72 12.2 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.514 -0.312 . . . . 2.46 111.5 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.651 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.8 mp -61.16 114.19 9.97 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.487 -0.324 . . . . 2.67 110.796 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -83.01 101.21 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.421 2.08 . . . . 3.11 112.432 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.183 -0.913 . . . . 7.27 110.949 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.511 -0.236 . . . . 14.04 112.511 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -160.44 78.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.729 0.3 . . . . 13.39 110.88 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 m80 57.34 23.04 8.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.196 -0.457 . . . . 12.87 111.097 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.69 94.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 11.46 110.751 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 p -132.89 -5.82 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 7.75 110.892 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 56.64 86.66 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.147 -0.479 . . . . 7.53 111.034 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mt -93.2 -173.34 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 5.67 110.951 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -81.3 67.23 7.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 3.86 110.855 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -101.21 87.7 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 4.31 110.923 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.413 ' HB ' ' H ' ' A' ' 11' ' ' MET . 4.7 m -136.57 -108.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 1.93 110.856 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.413 ' H ' ' HB ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -161.77 122.06 2.6 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 1.23 110.916 179.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 151.66 3.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.62 111.166 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -26.7 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.786 -0.643 . . . . 0.65 110.877 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -55.02 -34.34 63.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 2.82 111.051 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -73.61 -36.51 65.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 1.51 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.778 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -52.43 112.13 3.13 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.93 110.957 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.426 ' HD2' HD13 ' A' ' 16' ' ' LEU . 78.4 Cg_exo -50.24 122.1 8.76 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.435 2.09 . . . . 0.48 112.434 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.624 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -56.69 -49.08 95.77 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.122 -0.49 . . . . 1.64 111.724 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 10.0 Cg_endo -52.23 -26.01 25.44 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.169 1.912 . . . . 0.59 112.389 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.1 t -86.09 -41.42 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.65 110.679 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.778 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.56 -35.98 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 3.62 110.952 179.652 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -21.48 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.891 -0.595 . . . . 0.48 111.514 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -59.8 3.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 2.14 110.688 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 28' ' ' LEU . 50.7 tp -66.89 -30.76 71.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.518 . . . . 1.51 110.735 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.7 m -61.71 -40.59 95.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.55 110.31 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.32 90.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.813 -0.63 . . . . 0.52 110.759 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -59.97 -48.98 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.796 -0.638 . . . . 0.72 111.067 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.4 mm? -60.09 -51.48 69.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 1.09 111.621 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -62.14 -23.28 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 1.2 111.084 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.94 -32.79 73.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.68 110.698 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.51 1.49 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.894 -0.594 . . . . 1.16 110.933 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t0 58.45 46.56 14.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.072 -0.513 . . . . 2.03 110.803 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.76 64.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.54 111.178 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -86.73 -37.86 17.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.5 110.782 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.08 -27.52 69.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 2.32 110.923 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' OE1' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.43 -37.83 71.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 3.29 110.939 -179.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.78 -61.39 2.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.807 0.336 . . . . 0.65 110.64 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.97 -55.15 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.41 111.631 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.7 m -60.47 -31.29 70.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.176 -0.465 . . . . 0.51 111.748 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.28 -33.72 63.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.666 0.269 . . . . 0.47 111.311 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.64 6.32 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.792 0.33 . . . . 0.5 111.191 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.55 102.67 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.039 -0.528 . . . . 2.14 111.082 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mt -123.39 164.6 18.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 1.03 111.109 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.513 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 21.7 m-85 -69.36 136.16 88.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 1.41 110.544 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.46 -10.15 12.84 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.546 2.164 . . . . 1.32 112.414 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -86.49 -32.53 20.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.424 -0.353 . . . . 2.01 110.724 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.513 ' HG3' ' HB2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -77.76 -39.47 44.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 1.94 110.5 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.554 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.8 t -63.76 -45.67 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.88 110.907 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.48 -38.73 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 2.44 110.944 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -33.34 71.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 2.12 111.135 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 48' ' ' VAL . 15.9 mt -74.23 -48.9 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.293 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 p -53.33 -30.89 41.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 1.42 111.263 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -68.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.93 111.108 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -61.41 -32.76 72.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 2.48 111.265 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 8.7 ttpt -59.12 -35.32 73.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 1.77 111.191 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -35.33 74.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 3.02 110.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -93.93 70.51 3.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.327 -0.397 . . . . 2.99 110.997 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 40.44 75.85 0.11 Allowed Glycine 0 C--N 1.331 0.302 0 CA-C-N 115.628 -0.715 . . . . 2.05 113.412 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . 5.5 mmm180 -147.88 155.05 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 5.55 110.945 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.462 ' HB2' ' HB2' ' A' ' 63' ' ' ASN . 72.7 m -87.58 110.2 20.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 1.51 110.774 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.433 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.11 -37.04 81.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.39 111.336 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -64.87 -41.78 95.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.66 111.03 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.462 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 2.3 m-20 -61.31 -48.92 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 1.79 111.038 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.87 -45.9 84.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 1.72 110.871 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -57.28 -35.8 70.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.535 . . . . 0.5 110.742 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -39.63 94.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.65 111.155 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -62.74 -45.66 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 1.48 111.476 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.2 mt -71.81 -49.96 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 0.52 111.812 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -70.66 -14.04 62.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.63 110.96 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.89 83.14 0.35 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.664 -0.779 . . . . 1.08 112.452 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.73 -40.34 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 1.54 112.623 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -116.53 10.51 14.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 1.99 111.192 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -119.61 -14.58 9.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.53 111.01 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 m120 51.63 47.15 25.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.188 -0.46 . . . . 3.1 111.067 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -164.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 2.8 110.832 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.38 157.43 43.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.902 0.382 . . . . 1.17 111.351 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.457 HG11 HD23 ' A' ' 16' ' ' LEU . 4.6 m -63.26 -22.09 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 1.25 111.625 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.08 -54.27 48.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 2.24 110.885 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 m -55.62 -32.43 63.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 0.71 111.457 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 47.6 tp -60.38 -43.97 96.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 0.5 110.917 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -61.56 -57.51 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.73 110.939 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.85 -15.65 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.67 111.739 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.55 -59.83 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 1.23 110.901 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.557 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 31.4 m-85 -58.48 -25.87 62.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.46 111.336 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -33.77 53.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 1.59 110.721 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -59.54 -43.16 93.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 2.31 110.815 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.544 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -93.92 -0.61 55.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 1.57 110.807 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.3 46.11 16.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.541 . . . . 2.87 111.263 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 95.2 mt -89.88 77.08 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.338 -0.392 . . . . 1.31 110.867 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -54.31 -32.24 56.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 1.84 111.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -50.17 54.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.394 . . . . 1.98 111.112 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.57 -45.97 70.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.42 111.248 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.446 ' O ' HG13 ' A' ' 96' ' ' ILE . 31.2 mtm -60.48 -44.59 95.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 1.29 110.973 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 94' ' ' ARG . 4.5 ttp-105 -59.78 -19.2 49.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 3.39 111.747 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -72.6 -23.66 60.97 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.758 0.281 . . . . 0.79 111.758 -179.376 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 93' ' ' MET . 1.3 pt -108.47 -97.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 121.198 -0.201 . . . . 1.29 110.776 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 100' ' ' VAL . 0.1 OUTLIER 67.88 -69.76 0.14 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.787 0.291 . . . . 2.85 111.787 179.545 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -0.94 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.58 -0.282 . . . . 1.64 111.508 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.621 ' HB3' HD21 ' A' ' 16' ' ' LEU . 98.2 m-85 -108.98 -16.13 14.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.617 -0.265 . . . . 1.13 111.255 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 97' ' ' LYS . 28.5 m -98.61 -172.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.747 0.308 . . . . 1.37 111.226 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.41 148.45 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 2.53 111.05 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -84.52 -5.04 59.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 4.26 110.863 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.93 -35.08 79.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 3.15 111.104 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 0.8 OUTLIER -84.88 -38.19 19.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.463 -0.335 . . . . 1.91 111.329 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.56 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -60.85 105.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.296 0.569 . . . . 3.15 109.744 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER 175.69 -35.95 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.605 -0.725 . . . . 3.43 110.751 -179.206 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -89.58 -11.99 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.698 -0.683 . . . . 2.46 110.451 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.56 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.4 mp -51.02 110.25 1.69 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.529 -0.76 . . . . 2.67 111.243 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 108' ' ' ILE . 10.0 Cg_endo -51.98 128.68 27.72 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.786 2.324 . . . . 3.11 112.439 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.255 -0.879 . . . . 7.27 110.855 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.49 -0.244 . . . . 14.04 112.49 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -115.23 -76.51 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.745 0.307 . . . . 13.39 110.874 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 57.1 23.1 8.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.118 -0.492 . . . . 12.87 111.098 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -148.04 -49.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 11.46 110.785 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.31 45.67 27.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.185 -0.461 . . . . 7.75 110.997 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.5 -26.05 66.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 7.53 110.867 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tp -133.11 -76.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 5.67 110.828 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -158.66 -90.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 3.86 110.895 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -171.19 10.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 4.31 110.858 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.67 -159.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 1.93 111.096 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.495 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -161.23 155.3 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 1.23 110.77 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.11 136.82 23.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.62 111.237 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.403 HD12 ' CB ' ' A' ' 75' ' ' HIS . 12.7 mt -56.2 -26.49 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.682 -0.69 . . . . 0.65 110.691 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -38.35 68.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 2.82 110.598 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -33.64 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 1.51 111.121 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.667 HD12 ' HG2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -51.91 112.4 3.21 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.332 -0.394 . . . . 0.93 110.897 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD2' HD13 ' A' ' 16' ' ' LEU . 52.4 Cg_exo -53.11 123.0 12.14 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.444 2.096 . . . . 0.48 112.298 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.427 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -58.71 -47.69 98.24 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.183 -0.462 . . . . 1.64 111.529 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 84.4 Cg_exo -47.91 -29.44 11.72 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.341 2.027 . . . . 0.59 112.658 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.8 t -84.95 -41.56 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.302 -0.408 . . . . 0.65 111.052 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.667 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -59.54 -40.26 86.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 3.62 110.871 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.26 52.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 0.48 111.718 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -47.22 73.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.454 -0.339 . . . . 2.14 110.774 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.869 HD23 HD13 ' A' ' 95' ' ' LEU . 2.6 tm? -73.22 -29.03 62.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 1.51 110.302 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.5 m -59.41 -44.49 92.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.55 110.192 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.52 110.732 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -59.71 -56.8 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.412 -0.813 . . . . 0.72 111.276 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.833 HD11 HD13 ' A' ' 89' ' ' LEU . 3.9 mm? -60.03 -34.45 73.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 1.09 111.286 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.11 -34.13 71.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.332 -0.395 . . . . 1.2 111.104 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.68 -36.0 77.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.68 111.12 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -72.07 -8.57 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 1.16 111.167 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 53.54 62.27 2.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.443 . . . . 2.03 111.07 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.564 HG12 ' NE2' ' A' ' 36' ' ' GLN . 26.8 m -135.86 26.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.54 111.253 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -64.09 -39.47 94.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.5 110.634 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.37 -41.62 96.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 2.32 110.682 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.564 ' NE2' HG12 ' A' ' 33' ' ' VAL . 44.4 mt-30 -71.44 -29.06 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 3.29 110.533 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 4.9 mt -64.56 -49.34 71.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.161 0.505 . . . . 0.65 109.767 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -53.12 -64.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.584 -0.734 . . . . 0.41 111.078 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -25.13 66.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.51 111.7 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -52.56 -32.33 40.45 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.827 0.346 . . . . 0.47 110.732 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.425 HG13 HD13 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -105.13 -6.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.5 110.247 179.092 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.36 98.02 0.03 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.562 -0.745 . . . . 2.14 111.562 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.24 -171.19 2.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.094 -0.503 . . . . 1.03 110.664 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' O ' HG23 ' A' ' 48' ' ' VAL . 29.0 m-85 -70.23 127.95 91.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 1.41 110.936 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.45 -21.3 67.43 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.367 2.045 . . . . 1.32 112.131 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -82.58 -26.51 32.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 2.01 111.03 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -77.21 -28.68 53.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.391 -0.368 . . . . 1.94 110.477 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 44' ' ' TYR . 6.2 t -65.07 -32.81 59.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.88 110.748 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.54 -29.44 69.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 2.44 111.099 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.23 -35.67 74.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 2.12 110.993 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.3 mt -75.38 -36.91 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.47 111.045 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.1 t -54.99 -54.26 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 1.42 111.179 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.9 t -58.46 -47.75 83.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.93 111.277 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -60.86 -30.56 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 2.48 111.172 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -60.52 -35.43 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 1.77 111.116 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -60.45 -19.1 55.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 3.02 111.12 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.3 86.69 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 2.99 110.964 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.42 -37.76 0.9 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.749 -0.739 . . . . 2.05 112.638 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 56.8 21.79 6.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.779 0.323 . . . . 5.55 111.109 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.3 p -112.04 57.05 0.65 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 1.51 110.92 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.89 99.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.39 111.461 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.9 m -64.44 -40.53 95.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.66 110.921 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.65 -44.41 96.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 1.79 110.809 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.6 -43.32 90.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 1.72 110.48 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -57.63 -47.46 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.5 110.745 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.516 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -63.69 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.65 110.956 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.35 -58.07 7.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 1.48 111.454 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.45 -49.34 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.52 111.946 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 36.6 t90 -70.52 -23.97 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.504 -0.316 . . . . 0.63 111.08 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -124.33 60.9 0.6 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 1.08 112.477 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.03 -37.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 1.54 112.549 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -119.85 -19.55 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 1.99 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -84.76 -28.76 26.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 1.53 110.645 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 53.34 51.58 15.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 3.1 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.403 ' CB ' HD12 ' A' ' 13' ' ' ILE . 1.1 m-70 -77.62 179.71 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 2.8 111.126 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.4 p -95.44 146.91 24.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.726 -0.67 . . . . 1.17 111.123 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.671 HG12 HG13 ' A' ' 100' ' ' VAL . 16.0 t -64.13 -25.06 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 1.25 110.863 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -41.45 89.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 2.24 110.917 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 m -55.24 -37.8 67.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.71 111.064 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.92 -39.72 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.5 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.43 -62.55 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.73 111.203 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.2 -16.42 44.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.67 111.629 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.425 HD13 HG13 ' A' ' 41' ' ' VAL . 25.7 tp -65.8 -54.65 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.23 111.114 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -58.14 -35.4 71.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.46 111.222 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -38.8 59.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 1.59 110.875 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.77 -40.77 84.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 2.31 110.96 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 3.02 56.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 1.57 110.93 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm 59.84 34.97 21.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.515 . . . . 2.87 111.332 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.833 HD13 HD11 ' A' ' 28' ' ' LEU . 12.8 mt -90.73 68.73 6.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.31 110.775 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -54.59 -40.08 68.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 1.84 111.347 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -57.78 -47.45 82.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.315 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 95' ' ' LEU . . . -53.55 -42.13 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.42 111.481 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.451 ' O ' HG13 ' A' ' 96' ' ' ILE . 13.7 mtm -60.27 -42.16 94.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 1.29 111.592 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -59.51 -17.03 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.052 0.39 . . . . 3.39 112.052 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.869 HD13 HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -73.81 -24.02 59.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.65 0.262 . . . . 0.79 111.423 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -109.94 -93.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.565 -0.289 . . . . 1.29 110.761 179.686 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.8 OUTLIER 65.72 -74.05 0.06 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.769 0.318 . . . . 2.85 111.665 179.583 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.94 8.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.13 0.418 . . . . 1.64 112.13 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.444 ' H ' ' C ' ' A' ' 97' ' ' LYS . 83.8 m-85 -109.61 -16.54 13.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 1.13 110.891 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.671 HG13 HG12 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -100.09 -151.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 1.37 110.858 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.454 ' H ' ' HB ' ' A' ' 100' ' ' VAL . 3.5 t -49.98 153.16 1.42 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.929 0.395 . . . . 2.53 111.345 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.17 -24.63 37.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.02 -0.536 . . . . 4.26 111.404 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.54 -2.04 5.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 3.15 111.264 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.2 mt -84.17 -54.32 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.422 -0.353 . . . . 1.91 111.774 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.659 ' HA ' HD13 ' A' ' 108' ' ' ILE . 16.1 p80 -65.47 83.44 0.06 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.058 0.456 . . . . 3.15 111.137 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' H ' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -172.29 4.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.82 -0.627 . . . . 3.43 110.793 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.414 ' H ' ' H ' ' A' ' 106' ' ' LYS . 30.9 p90 -150.28 0.13 0.44 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.244 -0.435 . . . . 2.46 111.934 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.659 HD13 ' HA ' ' A' ' 105' ' ' HIS . 2.2 mp -58.48 112.42 4.92 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.475 0.179 . . . . 2.67 111.191 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 108' ' ' ILE . 10.8 Cg_endo -53.79 124.91 17.0 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.658 2.238 . . . . 3.11 112.27 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.259 -0.877 . . . . 7.27 111.01 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.512 -0.235 . . . . 14.04 112.512 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -137.68 76.52 1.58 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.783 0.325 . . . . 13.39 110.984 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -114.06 70.44 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 12.87 110.786 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.4 mtt 54.72 43.22 30.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 11.46 110.86 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.64 -179.72 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.871 -0.604 . . . . 7.75 111.213 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.61 165.56 12.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 7.53 110.995 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -30.15 66.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 5.67 110.899 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.32 162.09 27.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 3.86 110.858 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -165.8 63.91 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 4.31 110.943 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.44 -101.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.93 111.065 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -161.62 130.36 4.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 1.23 111.04 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB3' ' HG2' ' A' ' 14' ' ' ARG . . . -52.53 148.17 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.015 -0.538 . . . . 0.62 111.323 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mt -58.47 -20.93 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.467 -0.788 . . . . 0.65 110.819 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.54 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 2.5 ptm180 -56.19 -18.31 9.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 2.82 111.099 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -28.04 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 1.51 110.411 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -50.18 104.5 0.43 Allowed Pre-proline 0 C--O 1.231 0.124 0 CA-C-N 116.006 -0.543 . . . . 0.93 110.363 179.515 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HB2' HG23 ' A' ' 20' ' ' VAL . 26.9 Cg_exo -64.26 125.29 14.85 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.622 2.215 . . . . 0.48 112.653 -179.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 1.1 mt -64.0 -45.73 80.42 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.838 -0.619 . . . . 1.64 111.876 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 94.1 Cg_exo -44.22 -34.58 7.1 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.363 2.042 . . . . 0.59 112.808 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' A' ' 17' ' ' PRO . 2.3 t -86.38 -43.99 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.65 110.992 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.637 HH21 HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -59.33 -26.12 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 3.62 110.891 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.49 -30.9 65.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.784 -0.643 . . . . 0.48 111.513 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -27.1 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 2.14 110.969 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.79 ' HB2' HD22 ' A' ' 95' ' ' LEU . 57.7 tp -88.15 -35.24 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 1.51 110.976 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.5 m -60.12 -42.54 94.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.55 110.339 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.33 96.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.851 -0.613 . . . . 0.52 111.086 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -60.45 -52.81 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.72 111.168 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.4 mm? -59.93 -24.62 64.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.065 -0.516 . . . . 1.09 111.414 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -32.79 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 1.2 110.802 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.62 -44.66 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.68 110.974 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -20.1 62.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 1.16 110.809 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 52.23 73.76 0.31 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 2.03 111.023 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.66 26.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.54 111.195 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.755 ' HA ' HD12 ' A' ' 37' ' ' LEU . 59.9 p-90 -66.63 -36.88 83.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.5 110.964 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -63.19 -35.95 82.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 2.32 110.675 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.97 -29.18 63.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.534 . . . . 3.29 110.626 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 34' ' ' TRP . 18.8 mt -65.09 -58.69 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.65 110.463 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.18 -55.9 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.41 111.235 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -61.14 -33.15 72.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.51 111.736 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.67 67.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.865 0.364 . . . . 0.47 111.071 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.98 4.53 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.5 110.57 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.452 ' HZ3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 61.67 110.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.674 -0.693 . . . . 2.14 111.37 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.98 156.07 46.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 1.03 110.797 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.39 157.52 89.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 1.41 110.728 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.22 -27.88 28.51 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.497 2.132 . . . . 1.32 111.728 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -31.73 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 2.01 110.326 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -78.64 -43.54 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 1.94 110.346 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HA ' HD12 ' A' ' 51' ' ' ILE . 53.0 t -63.02 -48.03 89.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.88 110.663 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.22 -40.48 90.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 2.44 110.292 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -27.98 67.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 2.12 111.009 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.486 HG23 ' HB3' ' A' ' 64' ' ' GLU . 24.4 mt -82.62 -56.21 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.47 111.198 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.4 p -52.84 -35.61 57.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 1.42 111.152 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 t -59.17 -68.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.93 110.864 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -62.3 -15.23 46.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 2.48 111.375 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 3.9 ttmt -58.32 -55.27 37.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.83 0.348 . . . . 1.77 110.945 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -15.23 36.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 3.02 111.201 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -92.21 70.37 5.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.388 -0.369 . . . . 2.99 110.957 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.09 57.27 1.35 Allowed Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.633 -0.712 . . . . 2.05 113.393 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.64 158.16 43.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 5.55 111.056 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.57 132.34 40.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.984 -0.553 . . . . 1.51 110.879 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.29 -41.01 96.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.39 111.295 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 m -65.71 -42.09 91.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.66 110.767 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.36 -49.98 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 1.79 110.824 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.486 ' HB3' HG23 ' A' ' 51' ' ' ILE . 4.1 tp10 -64.71 -38.87 92.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 1.72 110.603 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -58.01 -46.3 85.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.969 -0.56 . . . . 0.5 110.606 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HG ' HH11 ' A' ' 21' ' ' ARG . 3.6 mm? -64.09 -29.67 70.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.65 110.885 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.37 -20.3 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 1.48 111.198 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.6 mt -105.06 -57.9 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.355 -0.384 . . . . 0.52 111.516 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -71.23 -4.54 26.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.438 . . . . 0.63 111.036 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -131.02 44.03 1.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 1.08 112.563 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.61 -39.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 1.54 112.581 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -76.33 -45.98 29.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 1.99 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -98.49 -21.02 16.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 1.53 111.017 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 54.35 70.83 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 3.1 110.8 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -178.52 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 2.8 110.992 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.5 p -96.35 151.51 19.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 1.17 111.231 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.3 m -63.62 -24.87 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 1.25 110.688 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -63.62 -50.58 68.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 2.24 110.664 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -55.43 -33.31 63.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.71 111.064 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.618 HD21 HH21 ' A' ' 21' ' ' ARG . 50.0 tp -61.03 -45.89 92.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.076 -0.511 . . . . 0.5 110.815 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -61.0 -50.63 72.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.73 110.8 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.53 -22.03 64.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.67 111.37 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.9 tp -66.92 -54.5 21.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 1.23 111.086 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -58.07 -30.19 66.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.46 111.318 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -53.39 -32.72 50.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 1.59 111.029 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -43.46 91.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 2.31 110.88 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -92.88 -1.23 56.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 1.57 111.0 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm 56.66 46.99 19.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.111 -0.495 . . . . 2.87 111.055 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.505 ' HG ' ' HB3' ' A' ' 87' ' ' LEU . 57.8 mt -90.65 71.97 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 1.31 111.001 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -54.19 -28.43 40.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 1.84 111.195 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.3 -53.43 19.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.98 111.163 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.43 -32.62 50.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.42 111.621 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.5 mtt -58.79 -52.24 66.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 1.29 111.403 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -57.97 -17.79 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 3.39 111.768 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.79 HD22 ' HB2' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -83.91 -28.18 28.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.639 0.256 . . . . 0.79 111.343 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.637 HG21 HH21 ' A' ' 21' ' ' ARG . 1.1 pt -113.24 7.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.91 0.386 . . . . 1.29 111.108 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -19.85 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 2.85 110.882 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.97 -5.01 11.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.061 -0.518 . . . . 1.64 111.355 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -107.2 -43.49 4.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.508 -0.315 . . . . 1.13 111.192 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.485 HG23 HD13 ' A' ' 104' ' ' LEU . 5.1 m -97.0 148.22 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.403 -0.362 . . . . 1.37 111.071 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.1 p 177.86 43.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 2.53 111.263 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.556 ' HG3' ' H ' ' A' ' 103' ' ' ASP . 1.2 pt-20 -97.95 -67.99 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.055 0.455 . . . . 4.26 110.666 178.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.556 ' H ' ' HG3' ' A' ' 102' ' ' GLU . 26.9 t0 -92.87 -7.45 46.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 3.15 111.772 179.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.485 HD13 HG23 ' A' ' 100' ' ' VAL . 0.4 OUTLIER -85.29 -56.46 3.52 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 114.117 1.154 . . . . 1.91 114.117 -177.104 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.733 ' HA ' HD13 ' A' ' 108' ' ' ILE . 5.3 p80 -43.64 93.32 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.458 0.647 . . . . 3.15 112.282 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -179.99 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.22 -0.9 . . . . 3.43 109.965 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -98.02 -10.89 23.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.783 -0.644 . . . . 2.46 110.511 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.5 mp -51.2 125.43 24.7 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 115.885 -0.598 . . . . 2.67 111.419 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -84.84 178.75 4.66 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.714 2.276 . . . . 3.11 112.429 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 110' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.257 -0.878 . . . . 7.27 111.0 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.584 -0.207 . . . . 14.04 112.584 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.35 105.23 4.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.694 0.283 . . . . 13.39 110.87 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.4 m80 58.27 -90.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 12.87 111.169 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.0 ttm 61.02 175.47 0.11 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.367 -0.378 . . . . 11.46 111.116 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m 54.18 58.76 4.7 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.006 -0.543 . . . . 7.75 111.146 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -129.99 171.71 12.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 7.53 110.867 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -68.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 5.67 110.703 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -166.06 40.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 3.86 110.589 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 57.18 -101.53 0.13 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 4.31 110.789 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 47.04 86.68 0.02 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.86 0.362 . . . . 1.93 111.604 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 130.57 45.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 1.23 110.836 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HA ' ' HA ' ' A' ' 76' ' ' THR . . . -50.04 151.58 1.91 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.142 -0.481 . . . . 0.62 110.866 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.645 HG21 ' HA3' ' A' ' 70' ' ' GLY . 1.1 mt -49.95 -28.5 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.753 -0.658 . . . . 0.65 110.786 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.92 -43.06 76.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.064 -0.516 . . . . 2.82 110.424 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -35.73 67.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 1.51 110.429 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.431 HD13 ' HD2' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -53.11 115.59 7.79 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.93 110.828 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' HD13 ' A' ' 16' ' ' LEU . 33.5 Cg_exo -59.48 121.35 9.74 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.357 2.038 . . . . 0.48 112.083 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -57.04 -47.5 98.99 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.102 -0.499 . . . . 1.64 111.538 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 18' ' ' LEU . 83.9 Cg_exo -48.72 -34.75 28.37 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.372 2.048 . . . . 0.59 112.716 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.3 t -85.54 -32.2 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.44 -0.345 . . . . 0.65 110.943 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.651 HH22 HG21 ' A' ' 96' ' ' ILE . 6.8 tpm_? -60.5 -32.28 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 3.62 110.898 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.21 -15.83 11.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.975 -0.557 . . . . 0.48 111.691 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.468 ' OE1' HD21 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -66.25 -56.1 12.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.443 -0.344 . . . . 2.14 110.857 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.648 HD23 HD13 ' A' ' 95' ' ' LEU . 1.6 tm? -64.07 -37.42 87.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 1.51 110.587 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.3 m -58.43 -45.9 87.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.936 0.398 . . . . 0.55 110.283 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.05 82.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.56 . . . . 0.52 110.647 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -61.69 -60.69 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.673 -0.694 . . . . 0.72 111.114 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 24' ' ' LEU . 1.3 mt -59.47 -26.37 65.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 1.09 111.638 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -54.59 -35.06 62.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.411 -0.359 . . . . 1.2 111.129 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.85 -38.49 79.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.68 111.04 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.06 -23.91 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 1.16 111.082 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.74 67.77 0.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 2.03 110.909 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.2 m -137.16 21.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.54 111.155 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.711 ' HA ' HD12 ' A' ' 37' ' ' LEU . 29.3 p-90 -61.67 -33.07 73.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.5 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.92 -33.52 75.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 2.32 110.813 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -33.33 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 3.29 110.875 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 34' ' ' TRP . 4.9 mt -64.77 -58.4 6.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.65 110.715 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.79 -55.86 12.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 0.41 111.545 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 m -60.31 -40.22 89.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.51 111.47 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.53 66.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.423 -0.353 . . . . 0.47 111.175 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.3 m -104.23 3.9 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.5 111.003 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 tptt 58.74 93.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.929 -0.578 . . . . 2.14 110.995 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.81 158.01 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 1.03 110.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 87.3 m-85 -69.15 130.88 90.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.41 110.677 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 47.9 Cg_exo -57.06 -19.95 35.19 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.48 2.12 . . . . 1.32 112.354 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.99 -31.4 39.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 2.01 110.747 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -78.2 -32.12 49.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 1.94 110.798 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.402 ' HA ' HD12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -64.04 -37.33 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.085 0.469 . . . . 0.88 110.285 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -40.59 90.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.582 -0.736 . . . . 2.44 110.587 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -40.39 87.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 2.12 110.946 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' ' 64' ' ' GLU . 17.3 mt -67.15 -48.3 79.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.47 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 t -53.78 -33.03 54.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 1.42 111.067 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -62.1 2.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.93 111.019 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -61.27 -36.28 79.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 2.48 111.069 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -61.09 -34.05 74.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.77 111.082 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -22.16 62.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 3.02 111.051 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.16 90.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 2.99 110.859 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.93 -15.82 5.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.818 -0.706 . . . . 2.05 112.598 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 55.01 -152.41 0.35 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.558 0.218 . . . . 5.55 110.809 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 58.27 48.37 12.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.942 0.401 . . . . 1.51 110.847 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.689 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -60.72 -29.36 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.555 . . . . 0.39 111.263 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -28.44 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.66 110.87 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -61.07 -51.42 69.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 1.79 110.585 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.486 ' HB2' HG23 ' A' ' 51' ' ' ILE . 10.4 mm-40 -65.61 -40.46 92.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 1.72 110.595 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.21 -46.61 82.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.5 110.663 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.47 -31.4 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.65 111.014 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.31 -51.74 64.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 1.48 111.343 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.8 mt -72.96 -50.54 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.52 111.743 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -70.74 -11.15 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.63 111.091 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.645 ' HA3' HG21 ' A' ' 13' ' ' ILE . . . -116.31 54.85 0.57 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 1.08 112.482 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -171.16 -37.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.815 -0.707 . . . . 1.54 112.471 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.16 -9.99 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 1.99 110.801 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -111.47 -20.21 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 1.53 110.802 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m120 57.33 31.21 19.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.077 -0.511 . . . . 3.1 111.412 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.401 ' O ' HD12 ' A' ' 13' ' ' ILE . 7.2 m-70 -77.85 143.5 37.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 2.8 110.773 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 8.5 p -89.13 178.37 6.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 1.17 111.106 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 t -63.63 -23.06 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 1.25 111.108 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -57.9 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 2.24 110.806 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.7 m -53.6 -36.26 61.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.71 110.937 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.1 tp -61.74 -39.46 91.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.933 -0.576 . . . . 0.5 110.736 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.658 ' HB2' HG21 ' A' ' 100' ' ' VAL . 25.8 t80 -60.82 -48.78 80.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.027 -0.533 . . . . 0.73 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.01 -25.68 67.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.67 111.301 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.511 HD22 HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -66.02 -51.69 56.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 1.23 110.885 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -57.84 -34.55 69.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.46 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -53.58 -37.47 62.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 1.59 111.107 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -41.05 84.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 2.31 111.109 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -92.6 1.01 57.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 1.57 111.183 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? 56.94 45.82 20.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.426 . . . . 2.87 111.179 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.475 HD13 HD21 ' A' ' 28' ' ' LEU . 30.8 mt -89.32 80.3 6.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 1.31 110.75 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.39 -32.61 50.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 1.84 111.311 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.06 -56.45 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 1.98 111.245 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.56 -38.59 55.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.42 111.436 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.8 mtp -59.68 -62.3 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.391 -0.368 . . . . 1.29 110.829 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -60.63 -12.61 10.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.514 . . . . 3.39 111.258 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.648 HD13 HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -74.1 -26.34 60.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.79 111.334 -179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.651 HG21 HH22 ' A' ' 21' ' ' ARG . 0.7 OUTLIER -132.5 71.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.871 0.367 . . . . 1.29 111.522 -179.653 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.25 -50.9 4.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 2.85 110.927 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -4.28 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 1.64 111.575 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -107.34 -23.12 12.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 1.13 111.25 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.959 HG12 HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -97.72 -167.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 1.37 111.792 -178.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.774 ' N ' HG13 ' A' ' 100' ' ' VAL . 4.3 m -50.75 170.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.552 -0.749 . . . . 2.53 111.75 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 0.0 OUTLIER -87.56 -2.71 58.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.693 -0.685 . . . . 4.26 111.168 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -50.43 73.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 3.15 111.662 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.959 HD21 HG12 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -85.55 42.37 0.95 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.902 0.382 . . . . 1.91 111.268 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 1.8 m-70 -122.59 70.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 3.15 110.234 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.29 -36.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.91 -0.586 . . . . 3.43 110.956 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -88.99 -1.42 58.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.819 -0.628 . . . . 2.46 110.366 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 105' ' ' HIS . 1.3 mp -50.89 130.93 29.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.737 -0.665 . . . . 2.67 111.028 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.34 117.3 5.03 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.417 2.078 . . . . 3.11 112.401 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.248 -0.882 . . . . 7.27 110.851 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.501 -0.24 . . . . 14.04 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -90.51 30.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 13.39 110.885 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -143.3 134.27 25.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 12.87 110.893 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.4 92.8 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 11.46 110.918 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -124.4 65.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 7.75 110.719 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.33 99.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.967 -0.561 . . . . 7.53 110.991 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.17 -159.37 0.3 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.052 -0.522 . . . . 5.67 110.812 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.6 91.82 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.32 -0.4 . . . . 3.86 111.01 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -120.93 34.49 5.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 4.31 110.883 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.9 p -106.26 -115.4 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 1.93 110.941 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -161.58 127.32 3.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.643 0.258 . . . . 1.23 110.757 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 75' ' ' HIS . . . -50.91 155.06 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.62 111.125 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.632 ' HB ' ' HB2' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -53.94 -27.55 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.65 110.747 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -37.35 71.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.026 0.441 . . . . 2.82 110.232 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -35.38 66.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.793 -0.64 . . . . 1.51 110.587 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.562 HD21 HG22 ' A' ' 77' ' ' VAL . 3.7 mm? -52.07 117.56 10.35 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.808 -0.633 . . . . 0.93 110.858 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.6 117.69 4.43 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.3 2.0 . . . . 0.48 111.991 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.598 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -61.74 -49.83 84.48 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.308 -0.406 . . . . 1.64 111.844 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 12.9 Cg_endo -56.0 -30.44 78.19 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.217 1.945 . . . . 0.59 112.688 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -86.11 -42.89 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.65 111.053 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HE ' ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -61.04 -31.72 71.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 3.62 110.906 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' HA ' ' HB2' ' A' ' 25' ' ' CYS . . . -58.09 -14.09 6.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.48 111.406 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -67.44 -52.03 44.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 2.14 111.083 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.692 HD13 HD22 ' A' ' 95' ' ' LEU . 46.9 tp -77.69 -25.26 49.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.491 -0.322 . . . . 1.51 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -59.54 -42.82 93.2 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.662 -0.496 . . . . 0.55 109.662 179.486 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.21 94.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.548 -0.751 . . . . 0.52 110.54 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.464 ' HB3' HD12 ' A' ' 24' ' ' LEU . 83.6 t60 -59.57 -54.76 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.283 -0.872 . . . . 0.72 111.283 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.13 -41.44 79.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 1.09 111.05 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.32 -24.51 59.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 1.2 110.679 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.46 -34.03 75.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.68 110.598 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.98 2.71 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.84 -0.618 . . . . 1.16 110.619 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 61.24 43.48 10.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.826 -0.625 . . . . 2.03 110.9 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.671 ' HB ' ' HG2' ' A' ' 36' ' ' GLN . 17.3 m -134.59 61.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.54 111.356 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.534 ' HA ' HD12 ' A' ' 37' ' ' LEU . 51.1 p-90 -87.71 -27.81 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.354 -0.61 . . . . 0.5 109.354 178.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -26.98 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.27 -0.877 . . . . 2.32 110.795 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.671 ' HG2' ' HB ' ' A' ' 33' ' ' VAL . 1.3 pp0? -69.15 -33.12 72.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.711 -0.677 . . . . 3.29 111.262 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 34' ' ' TRP . 1.2 mt -69.63 -60.91 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.789 0.328 . . . . 0.65 110.868 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.64 -55.94 16.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.41 111.621 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.1 m -60.42 -34.34 73.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.51 111.964 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . -54.26 -35.76 62.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.809 0.338 . . . . 0.47 111.115 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG11 ' NE1' ' A' ' 69' ' ' TRP . 25.9 m -106.22 2.61 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.5 110.836 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.6 96.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.862 -0.608 . . . . 2.14 110.937 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -114.02 157.35 22.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.03 111.073 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.448 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 76.1 m-85 -68.96 132.09 90.6 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 1.41 110.56 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.9 -17.35 23.53 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.558 2.172 . . . . 1.32 112.666 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.96 -33.77 33.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 2.01 110.594 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.448 ' HG3' ' HB2' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -77.62 -29.89 52.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 1.94 110.267 179.454 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.04 -31.16 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.917 -0.583 . . . . 0.88 110.625 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.17 -36.8 75.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 2.44 110.893 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -49.44 77.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 2.12 111.287 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.2 mt -61.22 -52.19 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.47 111.514 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -32.71 49.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 1.42 111.551 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -58.7 -69.02 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.385 -0.37 . . . . 0.93 111.418 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.18 -29.41 69.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 2.48 111.239 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HG3' ' HB2' ' A' ' 61' ' ' ALA . 9.7 ttpt -59.42 -42.83 92.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 1.77 111.213 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -59.82 -26.71 66.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 3.02 111.154 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -93.05 70.52 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.38 . . . . 2.99 110.969 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 33.24 69.92 0.14 Allowed Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.672 -0.694 . . . . 2.05 113.347 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -146.61 162.68 37.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 5.55 111.075 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.32 117.13 27.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 1.51 110.891 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.535 ' HB2' ' HG3' ' A' ' 55' ' ' LYS . . . -61.75 -39.35 91.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.39 111.296 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.3 m -64.74 -35.8 82.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.66 111.234 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -60.69 -54.7 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 1.79 111.043 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.73 -40.62 95.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 1.72 110.765 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.84 -43.57 77.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.922 -0.581 . . . . 0.5 110.995 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.484 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -65.84 -38.3 88.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.65 111.54 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.29 -20.21 64.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 1.48 112.138 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.12 -36.87 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.815 0.34 . . . . 0.52 111.703 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.494 ' NE1' HG11 ' A' ' 41' ' ' VAL . 35.6 t90 -71.87 -52.53 16.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.26 -0.427 . . . . 0.63 111.118 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.94 73.73 1.91 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 1.08 112.543 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.45 -33.62 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.861 -0.685 . . . . 1.54 112.405 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.81 30.91 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.979 0.419 . . . . 1.99 110.714 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 74' ' ' ASN . 27.4 m-85 -143.71 32.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.93 -0.577 . . . . 1.53 110.681 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 76' ' ' THR . 3.8 m-80 75.68 -23.94 0.23 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.703 -0.681 . . . . 3.1 111.195 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.632 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 44.9 p-80 37.17 -136.6 0.05 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.167 -0.47 . . . . 2.8 112.247 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 74' ' ' ASN . 9.6 p 80.36 151.66 0.11 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.126 0.97 . . . . 1.17 111.171 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.562 HG22 HD21 ' A' ' 16' ' ' LEU . 2.2 t -60.78 -49.25 85.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.616 -0.72 . . . . 1.25 111.915 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -48.99 -44.1 40.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.86 0.362 . . . . 2.24 110.466 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 m -57.51 -41.75 81.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.899 -0.591 . . . . 0.71 110.993 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 84' ' ' PHE . 52.8 tp -61.35 -39.41 90.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.061 -0.518 . . . . 0.5 111.016 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -60.6 -33.91 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.73 110.759 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.79 86.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.67 111.221 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.65 -51.46 59.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 1.23 111.06 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.834 ' HB3' HD11 ' A' ' 89' ' ' LEU . 11.2 m-30 -56.85 -60.94 2.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.018 -0.537 . . . . 0.46 111.211 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -51.14 -30.49 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.725 0.298 . . . . 1.59 111.526 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -59.92 -35.57 75.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 2.31 111.677 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 36' ' ' GLN . 13.8 tp -92.17 3.42 55.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.492 -0.322 . . . . 1.57 111.702 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? 55.11 51.33 13.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 2.87 110.987 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.834 HD11 ' HB3' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -89.57 72.26 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.31 111.005 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.25 -18.98 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 1.84 112.206 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 1.3 m120 -89.18 -60.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.695 0.283 . . . . 1.98 111.53 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.732 ' HB3' HD22 ' A' ' 89' ' ' LEU . . . -53.6 -23.88 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.42 111.764 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.37 -59.44 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 1.29 111.52 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.514 ' HA ' ' HB2' ' A' ' 97' ' ' LYS . 5.6 ptm180 -58.1 -16.51 13.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 3.39 111.979 -179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.692 HD22 HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -73.17 -38.93 66.02 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.558 0.207 . . . . 0.79 111.558 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.424 HG23 HD22 ' A' ' 24' ' ' LEU . 2.1 pt -114.6 10.25 7.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.757 0.313 . . . . 1.29 111.141 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.682 ' HD3' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -68.63 -29.85 68.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 2.85 110.567 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.63 2.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.928 -0.578 . . . . 1.64 111.61 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -102.47 -40.02 6.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.82 0.343 . . . . 1.13 110.936 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.888 HG23 HD11 ' A' ' 104' ' ' LEU . 17.9 m -97.63 -164.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 1.37 110.493 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.663 ' HA ' HD12 ' A' ' 104' ' ' LEU . 92.3 p 178.84 -56.98 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.761 0.315 . . . . 2.53 111.444 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.482 ' HG2' ' H ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -49.93 -45.07 50.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.925 -0.58 . . . . 4.26 111.197 -179.632 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.482 ' H ' ' HG2' ' A' ' 102' ' ' GLU . 0.4 OUTLIER -69.15 -28.01 66.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 3.15 111.467 -179.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.888 HD11 HG23 ' A' ' 100' ' ' VAL . 1.4 mt -84.96 -22.55 29.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.523 -0.308 . . . . 1.91 111.657 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -69.27 76.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 3.15 110.956 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.42 ' H ' ' H ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -178.48 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.928 -0.578 . . . . 3.43 110.804 -179.726 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.42 ' H ' ' H ' ' A' ' 106' ' ' LYS . 7.0 p90 -150.71 7.68 0.56 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.235 -0.439 . . . . 2.46 111.744 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.96 130.44 39.24 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.793 -0.185 . . . . 2.67 111.093 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.25 151.48 22.27 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.372 2.048 . . . . 3.11 112.217 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.182 -0.913 . . . . 7.27 110.953 -179.947 . . . . . . . . 1 1 . 1 stop_ save_