data_2mbh_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 2mbh _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 pt -97.51 171.35 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -119.97 107.43 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.049 0.452 . . . . 0.0 111.07 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.6 t -82.56 106.64 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -95.91 128.6 42.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.3 p -92.52 169.49 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.69 -46.33 87.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.6 p -59.62 -29.66 68.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.35 46.97 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 102.03 8.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.38 108.28 19.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.424 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.485 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 43.7 mm -112.06 141.44 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.015 0.436 . . . . 0.0 112.059 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.479 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.12 110.88 10.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.184 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.57 122.3 32.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.763 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.82 130.72 35.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.024 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 m -152.82 128.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.189 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.39 147.67 98.18 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.33 -40.79 55.49 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.421 2.081 . . . . 0.0 112.214 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -30.95 69.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.35 126.3 26.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.7 p -64.2 173.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -62.63 -33.0 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.98 -40.91 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.404 ' C ' ' HB3' ' A' ' 28' ' ' ALA . 18.6 t-20 -64.89 -30.9 71.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.148 0.499 . . . . 0.0 110.516 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.68 -57.51 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.844 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -56.23 -24.55 43.01 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB3' ' C ' ' A' ' 25' ' ' ASN . . . -63.79 -60.31 3.46 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.691 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -61.18 -43.18 99.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.915 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.2 mt -62.73 -26.58 41.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.316 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.26 -37.77 57.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.465 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -83.97 -13.67 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.327 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.79 -29.49 13.33 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.759 0.314 . . . . 0.0 111.284 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -117.27 -36.74 3.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.34 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.9 27.69 6.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.324 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.8 mt -107.97 112.52 61.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.515 0.198 . . . . 0.0 111.117 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -51.99 146.82 28.17 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.421 2.081 . . . . 0.0 112.314 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.66 -35.71 97.61 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.544 2.163 . . . . 0.0 112.443 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.75 23.17 6.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.2 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -116.64 -27.68 6.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -121.84 131.19 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.074 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -102.51 127.26 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.611 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tp -103.75 144.1 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 111.256 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.36 149.78 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.414 ' CG ' HD21 ' A' ' 67' ' ' LEU . 8.1 t80 -157.79 132.55 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.47 30.55 18.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.01 26.82 71.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -124.85 135.33 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 109.02 14.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mp -66.25 101.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.86 152.7 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.38 -30.18 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.04 53.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -137.19 150.9 48.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 p -87.91 174.79 8.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.8 mt -89.97 -47.39 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.302 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.6 t -51.96 -26.04 9.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -31.07 71.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.758 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -100.78 11.03 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 58.53 43.74 18.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.456 HD13 HG22 ' A' ' 61' ' ' ILE . 26.2 mt -84.14 104.82 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -91.54 -168.67 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 144.76 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 56.23 25.4 9.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.02 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 m -70.83 139.81 51.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.697 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.4 98.77 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.414 HD21 ' CG ' ' A' ' 45' ' ' PHE . 13.1 mt -91.12 120.1 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.592 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -71.26 128.48 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.929 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.6 tt -114.39 149.66 35.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.1 95.04 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.053 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.412 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 44.3 mt -70.78 114.94 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 ttm-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.823 0.344 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 pt -85.06 139.17 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -97.89 107.02 19.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.176 -179.701 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -83.47 109.03 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -98.84 121.9 41.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -88.45 168.12 12.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -49.41 77.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -55.98 -27.33 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.01 68.03 0.56 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.406 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.07 103.46 4.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.08 106.5 17.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.366 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.48 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 39.9 mm -111.75 140.13 32.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.471 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.52 110.78 11.35 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.046 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.52 127.73 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.41 130.59 34.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.14 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.4 m -152.84 123.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.89 145.68 88.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.679 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.82 -26.48 74.79 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.506 2.137 . . . . 0.0 112.244 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.5 m -96.32 40.42 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -127.72 140.62 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 p -70.39 164.59 24.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.403 ' HA ' HG22 ' A' ' 26' ' ' VAL . 39.1 mm -60.1 -33.05 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.1 -40.66 86.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 2.4 t30 -64.87 -31.03 72.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.167 0.508 . . . . 0.0 110.582 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 23' ' ' ILE . 2.7 t -75.49 -58.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.909 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -56.58 -24.7 49.17 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -62.94 -57.72 9.79 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.541 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -62.02 -40.25 95.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.813 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.409 HD11 HG21 ' A' ' 30' ' ' ILE . 73.0 mt -64.17 -27.58 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.306 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -73.73 -45.69 50.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.516 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -74.72 -19.11 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -90.62 -57.79 2.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.142 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -85.13 -33.42 22.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.41 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.47 26.49 7.67 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.253 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.8 mt -117.17 118.71 35.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.531 0.205 . . . . 0.0 111.18 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.24 153.7 26.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.433 2.089 . . . . 0.0 112.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.87 -24.89 17.28 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.601 2.201 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.33 29.15 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -128.01 -40.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -106.87 130.89 54.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.096 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -99.37 121.46 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.572 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' CD2' HD23 ' A' ' 50' ' ' LEU . 1.2 tp -95.61 150.36 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.284 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -141.06 148.57 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.949 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.414 ' CD1' HD23 ' A' ' 67' ' ' LEU . 48.3 t80 -149.63 130.05 13.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 22.13 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.367 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.57 -24.52 25.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.691 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -77.35 136.45 38.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 110.982 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -76.89 121.98 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.417 HD23 ' CD2' ' A' ' 43' ' ' LEU . 3.9 mp -76.78 93.97 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.49 156.2 38.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -55.56 -29.18 58.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.93 62.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -140.94 142.71 34.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.48 175.51 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.4 mt -90.01 -57.85 2.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.315 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -51.94 -26.29 10.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.232 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -72.95 -31.02 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.817 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -93.06 8.79 38.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.305 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.0 m120 61.16 39.9 15.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.774 0.321 . . . . 0.0 111.171 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.9 mt -85.2 99.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.014 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -82.77 -175.27 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 146.13 34.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 56.36 25.17 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -70.55 -175.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.87 100.85 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 45' ' ' PHE . 13.4 mt -93.31 121.99 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.651 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -75.68 125.39 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.027 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 tt -108.45 142.02 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.58 95.7 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.49 106.01 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.71 0.29 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 pt -96.09 150.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -106.64 112.47 25.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 0.0 111.139 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.0 t -86.21 108.13 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.806 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -96.13 128.69 43.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -90.19 -171.15 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.23 -58.01 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.016 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -56.27 -29.18 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.001 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.45 -3.64 9.5 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.801 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.74 111.33 0.98 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.916 0.389 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.53 117.37 33.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.537 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.493 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 42.1 mm -115.52 140.62 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.097 0.475 . . . . 0.0 112.18 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.484 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.21 110.83 11.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.112 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.17 132.32 51.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.963 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.51 129.59 35.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.069 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.7 m -155.78 118.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.999 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.08 140.32 94.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.58 -27.98 62.88 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.474 2.116 . . . . 0.0 112.201 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.4 m -96.82 41.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.1 136.17 50.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -64.67 160.39 19.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.697 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.414 ' HA ' HG21 ' A' ' 26' ' ' VAL . 42.6 mm -58.64 -29.54 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -59.59 -41.04 89.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.403 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 47.7 t30 -63.83 -30.84 71.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.138 0.494 . . . . 0.0 110.531 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG21 ' HA ' ' A' ' 23' ' ' ILE . 2.9 t -76.25 -58.1 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.976 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -56.23 -24.36 41.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -63.85 -60.46 3.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.803 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -60.68 -43.56 97.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.022 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -62.02 -30.04 47.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.184 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.3 tm0? -71.74 -39.52 70.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.513 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.63 -12.99 55.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.248 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.04 -29.69 12.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.644 0.259 . . . . 0.0 111.248 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -116.81 -36.45 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.42 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.43 28.61 7.05 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.311 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -113.82 108.67 51.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.501 0.191 . . . . 0.0 111.132 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.97 153.66 8.41 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.392 2.061 . . . . 0.0 112.256 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.17 -63.35 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.522 2.148 . . . . 0.0 112.458 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -59.18 -21.28 59.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.382 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -71.92 -31.63 66.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.288 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -128.16 135.04 49.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 111.234 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -96.56 175.17 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.715 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tp -142.89 137.95 29.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.023 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.0 mt -138.59 141.09 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -152.26 130.81 12.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.55 38.0 29.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.187 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.43 26.1 70.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -122.32 141.02 51.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -80.42 117.43 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 59' ' ' TYR . 4.3 mp -82.65 79.01 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.62 151.21 25.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -53.01 -29.45 29.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.09 61.1 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -146.93 145.13 29.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.746 0.308 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -83.21 178.69 7.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HA ' HD21 ' A' ' 56' ' ' LEU . 1.4 mt -90.02 -40.64 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.224 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -57.25 -28.64 63.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.49 -30.04 70.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 71.2 m-85 -101.15 16.45 25.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 53.78 39.52 30.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.0 mt -78.16 117.2 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -103.24 -178.98 3.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.63 139.81 56.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 54.67 28.94 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -67.33 148.13 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.784 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.0 101.2 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 mt -93.44 119.13 32.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.742 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -70.75 126.16 28.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.415 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.4 tt -111.31 146.61 36.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.3 t -127.11 94.97 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.038 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.415 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 36.7 mt -73.34 103.3 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.786 0.327 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.4 HD12 HG23 ' A' ' 17' ' ' VAL . 15.3 pt -103.74 176.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -125.84 112.85 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.106 0.479 . . . . 0.0 111.277 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.483 HG22 HD12 ' A' ' 30' ' ' ILE . 45.6 t -89.06 107.68 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.594 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -89.81 142.42 27.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.3 p -104.96 163.89 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.804 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -46.08 85.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -29.22 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.67 58.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.448 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -135.49 111.63 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.13 115.84 30.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.262 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.499 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 28.4 mm -114.11 142.35 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.473 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -71.3 115.6 10.64 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.562 178.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD2' ' CG1' ' A' ' 30' ' ' ILE . 5.5 tp -130.1 113.4 14.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.912 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -82.27 119.04 23.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.151 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.4 HG23 HD12 ' A' ' 3' ' ' ILE . 8.2 m -143.34 120.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.68 155.41 21.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.11 -26.9 83.41 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.55 2.167 . . . . 0.0 112.053 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -97.39 26.75 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.757 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -99.55 109.94 22.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.97 160.16 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -55.95 -37.05 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.91 -41.53 91.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.424 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 8.9 t-20 -66.93 -32.44 73.69 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.299 0.571 . . . . 0.0 110.477 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -74.75 -55.23 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.596 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -57.84 -25.24 60.42 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -61.91 -57.74 10.61 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.72 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -60.2 -38.82 84.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.149 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.483 HD12 HG22 ' A' ' 5' ' ' VAL . 82.3 mt -66.23 -30.8 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.466 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -71.59 -40.58 69.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.806 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.2 -15.64 40.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.422 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -91.88 -35.2 14.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.686 0.279 . . . . 0.0 111.249 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.58 -27.89 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.338 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.65 30.96 7.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.358 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.9 mt -123.19 108.36 32.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.577 0.227 . . . . 0.0 111.2 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.46 152.96 11.15 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.558 2.172 . . . . 0.0 112.311 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.92 -54.77 4.52 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.579 2.186 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.73 -29.9 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.76 -54.34 47.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -120.73 135.37 55.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -98.47 -177.42 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.674 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.403 ' CD2' HD21 ' A' ' 50' ' ' LEU . 1.4 tp -145.1 154.1 42.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.167 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -145.65 152.56 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' HD23 ' A' ' 67' ' ' LEU . 13.0 t80 -161.68 137.21 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.3 35.16 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.69 26.64 72.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.508 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -128.22 125.17 38.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.59 110.25 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 6.4 mp -63.87 113.78 3.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -166.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -106.34 30.26 6.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.81 32.17 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.453 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -109.7 144.93 37.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.8 147.3 27.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' CD2' ' HB ' ' A' ' 61' ' ' ILE . 5.5 mp -56.42 -33.38 65.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.035 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.5 t -57.4 -27.82 62.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.734 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.96 -41.62 11.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.786 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.413 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 3.0 m-85 -76.1 -11.27 59.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 m120 69.63 39.53 1.52 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.503 ' HB ' ' CD2' ' A' ' 56' ' ' LEU . 51.2 mt -87.14 99.51 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.804 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.65 -170.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.76 155.13 24.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 48.32 27.86 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.228 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 m -74.86 -178.86 3.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.77 99.9 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.419 HD23 ' CD1' ' A' ' 45' ' ' PHE . 12.2 mt -89.82 126.54 35.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.487 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -76.89 118.73 19.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.008 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 5.4 tt -103.97 135.24 45.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.7 t -116.58 100.12 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 2.0 mt -80.49 112.61 17.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.884 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.773 0.321 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.445 HD11 HG23 ' A' ' 17' ' ' VAL . 6.7 pt -103.83 173.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -119.53 110.38 16.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.149 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.8 t -86.27 106.42 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -93.72 131.75 38.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -93.39 159.77 15.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.56 -33.12 69.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -71.27 -30.56 66.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.97 60.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.5 105.06 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.46 110.98 23.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.394 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.464 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 38.5 mm -113.49 142.74 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.998 0.428 . . . . 0.0 112.146 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.25 117.14 16.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.045 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.77 118.94 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.684 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -80.4 124.23 28.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.158 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.445 HG23 HD11 ' A' ' 3' ' ' ILE . 8.3 m -141.59 120.3 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.014 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.88 143.63 87.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.65 -29.66 60.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.491 2.127 . . . . 0.0 112.298 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 t -95.11 43.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.91 148.11 49.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.7 p -76.08 172.96 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.773 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.414 ' HA ' HG23 ' A' ' 26' ' ' VAL . 37.0 mm -66.38 -30.62 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.56 -43.79 72.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.076 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.425 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 28.6 t-20 -65.82 -30.84 71.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.076 0.465 . . . . 0.0 110.79 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG23 ' HA ' ' A' ' 23' ' ' ILE . 3.5 t -74.91 -59.31 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.053 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -56.9 -23.86 47.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.425 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -63.45 -57.76 9.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.825 178.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -62.99 -42.55 99.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.016 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -63.15 -28.1 44.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.325 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -71.12 -54.08 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.539 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.37 -21.43 65.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.66 -74.58 0.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.895 0.379 . . . . 0.0 111.15 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -69.97 -30.86 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.39 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.23 28.56 8.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.345 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -122.9 114.52 29.62 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.49 0.186 . . . . 0.0 111.207 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.51 152.51 81.65 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.282 1.988 . . . . 0.0 112.188 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.16 -26.19 80.82 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.643 2.229 . . . . 0.0 112.546 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.38 -1.63 50.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.654 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -109.28 -26.63 9.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.688 0.28 . . . . 0.0 111.283 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -127.97 164.61 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 111.223 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -132.35 171.14 14.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.622 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tp -137.71 149.53 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -143.5 138.93 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -137.54 114.44 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.41 29.51 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.69 -26.3 20.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.567 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.46 136.07 56.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.354 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.41 112.65 21.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.58 74.64 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.37 169.23 18.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.59 64.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.52 36.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 5.1 mmp_? -137.29 140.05 41.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.788 0.328 . . . . 0.0 110.744 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.12 167.4 21.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 56' ' ' LEU . 2.9 mt -88.14 -61.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -25.57 12.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.173 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -63.86 -31.37 72.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.8 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 20.5 m-85 -99.08 5.49 46.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.339 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 59.54 70.04 0.67 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.912 0.387 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -109.07 97.53 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -74.7 -168.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.19 151.06 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.97 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 53.91 26.79 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.7 m -71.22 137.27 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.726 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.1 101.26 12.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.1 mt -93.38 122.43 35.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.694 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.32 114.52 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' A' ' 71' ' ' LEU . 5.0 tt -96.18 148.75 22.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.4 ' N ' HD21 ' A' ' 69' ' ' LEU . 22.9 t -127.88 94.9 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.424 ' CD2' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.25 103.97 3.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.762 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.727 0.299 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.473 HD11 HG23 ' A' ' 17' ' ' VAL . 5.7 pt -88.15 172.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -122.84 101.53 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 0.0 111.172 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -78.67 108.79 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.657 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -97.75 127.46 43.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.006 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.2 p -88.51 161.61 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.52 -39.74 84.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 p -61.09 -30.96 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.4 50.39 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.57 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.69 111.55 12.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.27 120.22 41.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.489 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 43.2 mm -121.35 141.06 43.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.476 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.37 110.89 11.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.087 179.212 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -125.18 123.21 39.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.747 -179.369 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -79.54 121.85 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.126 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.473 HG23 HD11 ' A' ' 3' ' ' ILE . 18.0 m -140.34 118.88 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -68.1 145.57 97.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.46 -46.14 29.54 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.455 2.103 . . . . 0.0 112.219 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -62.32 -35.41 78.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -58.68 146.98 34.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -88.5 177.16 6.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.96 -33.46 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.46 -41.55 85.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 7.1 t-20 -64.56 -30.92 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.25 0.547 . . . . 0.0 110.349 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.403 ' CG1' ' CG1' ' A' ' 17' ' ' VAL . 3.4 t -76.41 -57.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.888 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -55.99 -24.95 41.92 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.408 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -63.8 -62.14 1.84 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.07 178.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' HD11 ' A' ' 15' ' ' LEU . 16.2 mttt -60.69 -43.45 97.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.914 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.44 -27.23 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.377 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.88 -40.59 60.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.641 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -84.01 -11.94 56.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.411 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.16 -29.3 13.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.676 0.274 . . . . 0.0 111.178 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -118.62 -37.13 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.319 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.07 29.11 5.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.36 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.6 mt -111.66 105.73 56.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 0.0 111.043 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.19 148.41 18.36 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.492 2.128 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.7 -28.17 74.33 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.478 2.119 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.22 27.52 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.085 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.2 -41.15 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -109.8 157.97 18.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.044 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -129.14 132.53 47.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 tp -99.24 145.13 27.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.3 mt -139.85 134.86 38.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.052 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.421 ' CD1' HD21 ' A' ' 67' ' ' LEU . 15.7 t80 -141.04 125.99 18.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.52 30.76 17.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.48 25.75 64.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -119.08 139.24 52.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -85.05 107.7 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 59' ' ' TYR . 9.3 mp -73.35 76.96 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -59.59 151.69 23.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.15 -30.37 59.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.78 55.3 1.02 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -146.59 170.17 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.332 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 p -116.63 167.3 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mt -77.21 -42.14 38.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.247 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -55.11 -27.89 48.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.22 -31.91 68.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 66.2 m-85 -95.74 -4.41 44.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.428 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 62.66 60.28 1.34 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.8 mt -99.62 135.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -115.61 -177.62 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 144.32 57.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 57.68 29.12 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -74.94 127.16 32.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.76 100.97 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 45' ' ' PHE . 13.7 mt -97.25 118.02 32.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -70.8 126.63 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.042 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.419 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.9 tt -105.68 151.98 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.83 95.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.046 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.419 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 15.7 mt -73.05 122.44 21.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -93.71 168.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -120.18 108.0 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.038 0.447 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.2 t -82.87 105.27 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.97 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -93.57 128.87 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.0 p -91.39 166.83 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.81 -47.26 85.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.3 p -60.65 -30.8 70.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.18 59.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.598 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.17 101.28 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.37 108.78 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.497 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 42.7 mm -111.55 140.68 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.048 0.451 . . . . 0.0 112.145 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.98 110.95 10.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.271 179.492 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.07 118.51 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.609 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -83.72 131.52 34.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.184 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.9 m -150.91 122.06 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.58 139.66 97.64 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.2 -35.07 90.17 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.36 2.04 . . . . 0.0 112.271 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -33.16 65.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.51 131.78 51.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.1 p -65.49 173.51 2.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.407 ' HA ' HG21 ' A' ' 26' ' ' VAL . 35.7 mm -64.33 -31.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -58.96 -40.56 85.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.063 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 17.3 t-20 -64.4 -30.92 71.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.076 0.465 . . . . 0.0 110.584 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' A' ' 23' ' ' ILE . 2.7 t -76.27 -57.03 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.973 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -57.99 -22.81 51.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -65.61 -57.01 9.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.838 -1.073 . . . . 0.0 109.594 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -63.87 -44.07 94.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.964 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.7 -32.71 54.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.236 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.74 -56.06 14.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.36 -25.73 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -74.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.258 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -20.17 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.498 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.55 29.74 23.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.194 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.9 mt -123.7 105.11 33.01 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.54 0.209 . . . . 0.0 111.164 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.67 151.77 18.4 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.385 2.056 . . . . 0.0 112.272 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.4 -46.08 36.15 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.547 2.165 . . . . 0.0 112.321 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -64.7 -30.98 72.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -65.87 -52.47 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.434 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 2.7 pp0? -120.31 138.22 53.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.37 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -96.3 -176.37 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.621 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 67' ' ' LEU . 6.6 tp -149.67 134.31 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mt -128.19 146.68 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 67' ' ' LEU . 7.4 t80 -153.84 121.77 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.88 40.65 32.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.23 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.89 24.15 75.74 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . 70.8 mmtt -115.15 140.52 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -91.37 104.29 16.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.404 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 9.8 mp -69.34 70.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.12 153.24 42.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -70.41 65.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.92 39.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -148.36 164.1 35.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.1 p -102.28 147.22 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.3 mt -59.1 -35.3 73.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.6 t -56.78 -29.25 62.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -35.31 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 29.9 m-85 -88.79 -9.58 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.337 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m120 63.47 63.88 0.85 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.407 HG12 ' CD2' ' A' ' 45' ' ' PHE . 29.8 mt -106.2 100.12 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -77.01 -169.34 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 143.21 46.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 57.54 28.21 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -69.46 133.82 48.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.745 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.36 102.18 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 45' ' ' PHE . 22.9 mt -94.69 124.83 38.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -76.97 107.62 9.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.503 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.447 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.4 tt -86.59 147.34 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.1 t -130.9 94.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.447 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 7.5 mt -74.01 122.18 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.839 0.352 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.8 pt -97.32 156.31 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -105.95 109.16 21.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.972 0.415 . . . . 0.0 111.245 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -83.79 106.12 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.731 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -91.57 139.01 31.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.95 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -103.05 170.77 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -48.31 82.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.3 p -59.32 -30.38 68.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.47 42.93 0.61 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.29 107.9 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.62 112.09 24.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.44 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.491 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 37.0 mm -113.39 141.71 28.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 112.156 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.47 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -77.81 110.8 13.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.06 179.27 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.04 123.84 42.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.26 115.26 20.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.379 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 m -143.71 118.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.87 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.09 154.47 29.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.26 -31.17 93.03 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.544 2.163 . . . . 0.0 112.053 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -96.86 26.22 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -97.49 113.34 25.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.93 157.45 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.018 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -55.32 -38.19 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.107 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.52 -42.16 91.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 31.0 t-20 -66.99 -32.4 73.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.204 0.526 . . . . 0.0 110.415 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -73.83 -55.51 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.685 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' CE ' ' CD2' ' A' ' 43' ' ' LEU . 4.4 mmtm -56.82 -24.97 54.79 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -61.77 -60.25 3.94 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.717 178.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -59.9 -43.2 94.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.989 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.2 mt -62.52 -25.93 39.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.434 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -78.18 -36.75 47.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.754 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -85.18 -13.37 50.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.443 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.56 -33.51 10.96 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.709 0.29 . . . . 0.0 111.254 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.54 -27.59 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.474 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.76 28.94 14.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.169 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.0 mt -113.34 111.95 49.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.543 0.211 . . . . 0.0 111.142 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.9 145.98 38.43 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.396 2.064 . . . . 0.0 112.237 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.9 -37.81 92.89 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.497 2.131 . . . . 0.0 112.373 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.4 -30.58 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -59.12 -30.66 68.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -131.39 162.83 29.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.121 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.16 166.81 14.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.679 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.405 ' CD2' ' CE ' ' A' ' 27' ' ' LYS . 7.4 tp -133.84 143.8 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.396 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.1 mt -139.6 144.39 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -142.27 123.77 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.77 31.39 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.233 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.09 25.38 62.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.439 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -122.49 113.5 19.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.17 103.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -59.96 106.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.92 -163.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -96.28 -28.68 14.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.24 52.54 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.586 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -118.06 138.42 52.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.3 p -101.46 145.91 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.032 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.489 ' CD2' ' HB ' ' A' ' 61' ' ' ILE . 5.3 mp -57.75 -38.16 74.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.2 t -55.4 -29.33 58.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.757 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -90.12 -40.32 12.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.681 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -12.44 60.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.218 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 72.73 39.96 0.64 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.778 0.323 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.489 ' HB ' ' CD2' ' A' ' 56' ' ' LEU . 38.9 mt -93.68 100.4 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.5 -176.95 1.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.75 149.49 43.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 54.15 24.73 5.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -72.34 150.27 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.727 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.83 101.78 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.045 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.5 mt -95.72 117.45 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.698 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -67.09 137.45 56.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.1 tt -123.38 138.31 54.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 t -117.69 95.01 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.38 118.24 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.746 0.308 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.9 pt -97.09 165.53 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CE1' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -113.57 107.83 16.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 111.099 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.451 HG22 HD13 ' A' ' 30' ' ' ILE . 23.2 t -82.22 106.46 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.969 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -95.83 125.0 40.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -88.83 -177.48 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.03 -54.76 42.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.1 p -56.43 -27.6 57.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.73 29.2 2.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.82 101.73 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.14 107.71 19.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.479 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 42.0 mm -111.0 139.49 34.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.017 0.437 . . . . 0.0 111.981 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.481 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.3 110.79 11.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.11 179.394 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.96 124.15 41.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.863 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -81.71 123.69 28.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.158 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -148.63 122.84 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.894 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.6 142.84 94.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.49 -29.89 61.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.496 2.131 . . . . 0.0 112.261 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.3 m -78.86 -30.83 45.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -58.78 139.79 55.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.7 p -81.49 173.94 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -59.52 -37.63 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.034 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -57.58 -41.44 81.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.424 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 15.3 t-20 -66.0 -30.93 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.17 0.51 . . . . 0.0 110.402 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -76.22 -57.01 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.665 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -56.96 -24.26 51.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -63.68 -59.73 4.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.732 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -61.76 -44.03 97.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.824 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.451 HD13 HG22 ' A' ' 5' ' ' VAL . 80.9 mt -61.88 -26.49 40.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.376 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.24 -39.73 53.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.61 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -83.57 -12.06 56.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.308 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -99.4 -28.96 13.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.603 0.239 . . . . 0.0 111.307 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -119.63 -35.87 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.428 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.83 28.46 6.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.255 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mt -107.45 107.13 59.98 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.587 0.232 . . . . 0.0 111.145 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.45 148.1 27.52 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.449 2.099 . . . . 0.0 112.265 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.57 -32.83 84.56 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.545 2.163 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.55 31.25 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.066 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -120.53 -37.37 3.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -112.71 176.5 4.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.39 113.86 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.618 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tp -90.61 148.99 22.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.401 ' CD1' ' CG2' ' A' ' 70' ' ' VAL . 4.0 mp -143.71 148.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.971 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -166.06 139.83 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.55 40.98 29.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.65 25.98 61.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 16.8 mttp -127.98 130.3 48.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.777 0.323 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -76.75 112.29 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mp -72.04 77.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.771 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.99 157.09 23.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -60.17 143.7 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.3 3.28 72.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -106.91 147.38 29.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 p -91.12 152.84 20.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.157 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 56' ' ' LEU . 2.9 mt -66.26 -46.72 76.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.226 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -26.66 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -70.49 -31.21 68.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.674 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 36.0 m-85 -94.37 -16.0 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.22 68.8 0.39 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.923 0.392 . . . . 0.0 110.817 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -107.75 104.43 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -72.41 -177.77 2.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 146.67 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 55.81 24.38 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -69.73 140.23 53.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.752 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.24 100.26 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.987 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.5 mt -91.22 118.01 30.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -69.76 113.31 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.413 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.7 tt -95.48 142.09 28.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.401 ' CG2' ' CD1' ' A' ' 44' ' ' ILE . 27.7 t -126.81 97.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.413 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -77.9 116.68 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.746 0.308 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -88.59 165.75 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.773 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -121.23 115.7 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.039 0.447 . . . . 0.0 111.286 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.7 t -91.21 104.7 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.657 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -93.2 132.51 37.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.3 p -94.13 157.37 16.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -28.43 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.1 -29.7 58.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.533 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.88 54.57 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.81 102.14 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.56 110.1 22.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.267 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.507 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 39.8 mm -111.47 141.05 28.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.494 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.61 110.86 11.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.186 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.8 126.68 46.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.605 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.77 129.76 35.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.367 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 m -153.83 120.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.01 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.02 143.69 83.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.623 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.57 -27.73 15.11 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.44 2.093 . . . . 0.0 112.28 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -88.58 -21.38 24.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.958 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.62 115.59 2.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.91 164.13 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.405 HD12 ' CE2' ' A' ' 59' ' ' TYR . 44.9 mm -56.39 -40.88 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -41.92 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.407 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 16.7 t-20 -64.84 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.129 0.49 . . . . 0.0 110.663 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.401 HG21 ' HA ' ' A' ' 23' ' ' ILE . 2.4 t -75.94 -58.38 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.9 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -56.1 -25.42 45.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -62.61 -57.84 9.67 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.627 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -62.44 -39.07 92.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.853 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.71 -27.92 43.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.314 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -73.04 -50.86 20.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.618 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.36 -20.88 62.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.265 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -70.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.259 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.44 -24.14 60.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.507 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.49 27.07 23.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.233 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -118.23 113.35 37.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.597 0.237 . . . . 0.0 111.08 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.45 156.96 3.62 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.447 2.098 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.32 52.93 4.49 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.779 2.319 . . . . 0.0 112.431 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -162.56 -44.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.83 -24.23 56.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.994 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -121.28 136.43 54.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -100.01 108.89 21.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.711 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD12 ' HB3' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -88.72 126.01 35.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.2 mt -124.53 149.04 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.453 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 87.3 t80 -153.32 132.78 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.18 41.16 29.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.39 25.22 66.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -136.15 115.27 12.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -59.87 121.83 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 59' ' ' TYR . 7.1 mp -60.36 86.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.745 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.91 143.43 45.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -61.73 115.51 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.63 24.02 4.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.564 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -121.62 146.71 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.1 p -103.63 148.38 26.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.487 ' CD2' ' HB ' ' A' ' 61' ' ' ILE . 5.3 mp -56.79 -31.23 64.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -29.16 64.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -90.01 -42.66 11.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 3.4 m-85 -72.2 -10.32 59.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.251 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t30 72.46 30.71 1.9 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.487 ' HB ' ' CD2' ' A' ' 56' ' ' LEU . 25.1 mt -85.39 100.72 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.877 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -85.34 -172.82 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.63 142.9 54.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 56.42 25.39 9.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -61.52 -178.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.44 99.42 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD2' ' CD1' ' A' ' 45' ' ' PHE . 17.1 mt -94.55 121.96 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.749 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -77.97 115.22 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.213 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 43' ' ' LEU . 8.6 tt -98.49 137.75 36.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.3 94.86 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.28 113.13 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.697 0.284 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 pt -83.92 139.81 17.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.759 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.5 103.82 15.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.074 0.464 . . . . 0.0 111.245 -179.605 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.73 105.75 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.382 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -103.33 134.3 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.003 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 p -85.93 -162.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.26 67.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.2 p 53.31 81.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.05 -35.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.406 -0.902 . . . . 0.0 113.032 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -150.43 148.65 29.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 111.615 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -147.04 122.28 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.705 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 45.7 mm -123.58 142.86 38.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.862 0.689 . . . . 0.0 112.862 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.44 ' OG1' ' CZ ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -79.68 110.88 15.44 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.742 178.695 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.49 132.15 54.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.013 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.66 129.31 35.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.102 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.7 m -154.64 122.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.013 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.32 145.48 67.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.91 -28.18 30.51 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.48 2.12 . . . . 0.0 112.262 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -102.56 30.08 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -100.59 118.59 37.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -59.47 160.76 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.743 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 mm -57.54 -36.94 55.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.182 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -41.56 90.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.417 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 33.5 t-20 -66.69 -31.11 71.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.231 0.539 . . . . 0.0 110.313 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -75.39 -56.5 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.611 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -56.79 -25.33 55.28 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -62.42 -58.77 6.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.714 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -60.73 -42.54 97.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.006 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.1 mt -62.42 -29.36 46.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.203 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.74 -40.28 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.476 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -81.82 -14.12 56.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.331 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -97.91 -40.98 8.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -103.52 -29.8 10.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.9 26.21 11.92 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.32 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -117.78 127.63 26.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.63 0.252 . . . . 0.0 111.112 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.82 145.51 32.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.421 2.081 . . . . 0.0 112.187 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.77 -27.13 76.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.573 2.182 . . . . 0.0 112.432 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.62 -28.87 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.304 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -86.16 -47.34 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.132 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -99.84 138.66 36.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.57 160.42 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tp -121.43 147.56 45.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 mt -150.17 145.12 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -161.04 139.72 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.975 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.18 40.07 28.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.34 25.12 62.25 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -126.73 123.56 37.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.89 108.78 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.0 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 6.7 mp -66.28 77.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.705 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.5 160.24 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -69.94 66.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.52 41.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -133.25 137.21 45.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -97.44 143.62 27.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.516 ' CD2' ' HB ' ' A' ' 61' ' ' ILE . 5.4 mp -55.39 -30.71 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -30.71 66.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.64 -43.98 12.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 5.5 m-85 -76.22 -6.61 52.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 63.42 41.72 7.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.77 0.319 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.516 ' HB ' ' CD2' ' A' ' 56' ' ' LEU . 43.6 mt -86.18 99.96 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.933 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -75.15 -176.41 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.149 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -70.75 152.02 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 51.77 26.22 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.11 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -77.14 147.77 36.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.699 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.45 102.36 15.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.931 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt -94.44 118.52 31.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.53 131.82 50.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.955 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.427 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.8 tt -120.59 145.79 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.6 t -127.1 94.93 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.427 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 11.0 mt -74.17 104.64 5.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.6 pt -90.8 169.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.484 ' CE1' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -121.04 105.86 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 0.0 111.13 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 t -83.85 111.2 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.921 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -97.68 127.02 43.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 p -87.36 -176.07 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.23 -56.67 19.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.6 p -55.9 -26.77 48.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.26 28.14 3.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 100.64 12.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.65 108.87 21.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.442 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.478 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 41.9 mm -112.0 141.84 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.992 0.425 . . . . 0.0 112.088 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.484 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.16 110.79 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.069 179.463 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.6 129.77 47.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -85.55 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.168 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 m -154.04 119.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.976 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.56 145.84 67.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 29.7 Cg_endo -63.79 -27.88 67.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.427 2.085 . . . . 0.0 112.328 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 p -97.72 37.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -122.99 141.76 51.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.3 p -68.44 171.02 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HA ' HG21 ' A' ' 26' ' ' VAL . 39.0 mm -66.89 -31.05 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -58.36 -40.98 83.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.407 ' C ' ' HB3' ' A' ' 28' ' ' ALA . 27.4 t-20 -64.01 -30.89 71.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.159 0.504 . . . . 0.0 110.583 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG21 ' HA ' ' A' ' 23' ' ' ILE . 2.7 t -76.58 -57.92 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.98 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 5.2 mmtp -56.56 -23.6 41.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' HB3' ' C ' ' A' ' 25' ' ' ASN . . . -64.57 -62.37 1.63 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.911 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -59.86 -42.98 94.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.067 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -63.1 -29.91 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.307 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -71.6 -39.32 70.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.318 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.03 -14.7 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.245 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -97.19 -27.52 14.51 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.348 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.64 -39.02 2.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.377 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.28 28.9 5.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.388 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -111.86 108.53 55.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.544 0.212 . . . . 0.0 111.197 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.88 152.97 9.18 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.426 2.084 . . . . 0.0 112.363 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.55 -63.56 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.558 2.172 . . . . 0.0 112.643 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.27 -22.0 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.468 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -39.16 75.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.303 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -115.28 163.23 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 111.245 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 -140.41 124.68 17.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HB2' ' CE ' ' A' ' 27' ' ' LYS . 4.0 tp -84.47 152.64 23.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 0.0 110.979 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mt -149.34 135.53 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.97 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -136.07 115.06 12.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.7 30.67 17.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.4 -29.44 10.24 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -61.92 113.86 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.17 101.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.09 71.14 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.82 165.42 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.016 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -61.52 113.85 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.44 13.18 9.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.673 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -109.79 137.38 47.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 110.752 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.07 165.56 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 56' ' ' LEU . 2.9 mt -87.31 -61.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.234 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -25.63 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.128 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -61.75 -30.78 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.766 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -104.55 18.77 21.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 t30 55.83 76.45 0.28 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.839 0.352 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -119.63 103.29 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -84.41 -169.68 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -78.61 149.02 33.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 55.4 26.77 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -70.23 175.53 4.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.746 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.68 101.51 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.4 mt -99.91 117.96 35.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -71.19 140.88 50.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.432 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -120.08 144.77 47.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.6 t -125.91 98.44 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.432 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 11.8 mt -78.09 115.04 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.777 0.322 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 pt -96.61 150.39 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -99.97 117.25 33.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.006 0.432 . . . . 0.0 111.156 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 30' ' ' ILE . 26.4 t -93.82 107.81 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -93.92 124.96 38.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -87.33 173.18 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.44 -48.5 80.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -59.37 -29.1 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.14 45.48 0.68 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -112.87 102.54 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.49 106.67 18.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.342 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 47.0 mm -110.54 140.34 30.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 112.088 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.15 110.88 11.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.14 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.09 121.4 31.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.696 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -85.28 120.88 27.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.013 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 m -142.4 129.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.162 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.9 154.68 80.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.807 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.97 -50.72 2.0 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.41 2.074 . . . . 0.0 112.375 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 p -60.28 -29.77 69.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.48 118.11 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 p -60.16 -177.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.401 ' HA ' HG23 ' A' ' 26' ' ' VAL . 43.8 mm -65.76 -37.13 79.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.4 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 1.6 tp10 -56.72 -42.51 79.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 10.9 t-20 -64.59 -33.21 75.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.255 0.55 . . . . 0.0 110.507 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 23' ' ' ILE . 3.3 t -72.81 -55.59 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.863 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -59.44 -21.74 60.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.434 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -63.43 -60.16 3.72 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.629 178.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -60.03 -44.22 94.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.021 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.459 HD13 HG21 ' A' ' 5' ' ' VAL . 81.3 mt -62.47 -27.96 43.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.423 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -73.99 -39.32 63.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.572 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -83.56 -13.51 54.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.272 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 -29.58 12.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.713 0.292 . . . . 0.0 111.265 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -116.04 -36.16 4.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.329 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.13 30.38 6.7 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.309 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mt -115.72 112.17 43.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.5 0.19 . . . . 0.0 111.094 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -52.12 150.26 19.5 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.456 2.104 . . . . 0.0 112.352 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.82 -38.91 90.99 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.58 2.186 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.24 -29.99 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.079 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.29 -28.82 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -128.94 156.48 43.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.382 . . . . 0.0 111.209 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.83 -176.6 3.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.537 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 67' ' ' LEU . 1.2 tp -154.85 138.08 15.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.926 0.393 . . . . 0.0 111.315 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 45' ' ' PHE . 7.2 mt -131.34 139.91 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD1' HD21 ' A' ' 67' ' ' LEU . 24.8 t80 -154.15 136.1 14.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.59 30.67 19.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.4 27.86 73.11 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -128.01 143.16 51.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -84.9 114.18 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 10.1 mp -73.78 86.8 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.44 156.13 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.44 71.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.95 43.16 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.403 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 3.0 mtt180 -138.18 140.8 39.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -77.71 154.81 31.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.017 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.63 -46.18 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 t -52.39 -25.97 11.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.54 -30.82 52.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.831 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 13.0 m-85 -91.81 8.75 35.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.365 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 58.64 35.08 24.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.724 0.297 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.415 HG12 ' CD2' ' A' ' 45' ' ' PHE . 32.6 mt -85.22 98.62 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -80.68 -166.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.759 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 143.6 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 57.01 26.83 12.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.5 m -69.8 -177.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.82 100.05 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' A' ' 45' ' ' PHE . 21.3 mt -92.98 118.94 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -76.94 105.63 8.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.267 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.441 HD22 HD22 ' A' ' 71' ' ' LEU . 6.0 tt -88.59 146.43 25.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.54 94.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.441 HD22 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -69.48 112.67 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.832 0.349 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 pt -87.85 172.0 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -123.48 101.58 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 110.965 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.14 111.01 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -95.5 142.44 27.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.3 p -105.11 166.46 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -46.16 88.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.3 p -59.61 -29.46 68.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.28 47.99 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.85 109.83 15.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.14 116.83 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.48 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 41.0 mm -118.4 142.24 34.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.031 0.443 . . . . 0.0 112.034 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.479 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.27 110.82 11.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.137 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.39 127.01 44.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.23 130.15 34.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.042 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 m -148.74 121.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -59.5 137.08 89.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.0 -27.24 53.55 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.433 2.089 . . . . 0.0 112.31 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 m -98.26 41.18 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -129.81 133.55 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.6 p -63.61 169.48 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.416 ' HA ' HG22 ' A' ' 26' ' ' VAL . 43.5 mm -62.19 -30.96 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.07 -40.59 85.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' HB3' ' A' ' 28' ' ' ALA . 27.5 t-20 -64.22 -30.91 71.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.196 0.522 . . . . 0.0 110.689 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 23' ' ' ILE . 2.6 t -76.29 -58.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.88 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -55.82 -25.04 39.87 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB3' ' C ' ' A' ' 25' ' ' ASN . . . -63.28 -58.83 5.86 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.568 178.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -61.75 -42.3 98.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.803 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.5 -28.05 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.21 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -73.8 -41.69 62.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.483 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.49 -14.19 58.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.227 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.11 -44.47 7.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.757 0.313 . . . . 0.0 111.225 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.88 -33.08 9.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.379 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.68 26.16 7.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.332 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.6 mt -118.0 127.13 26.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.523 0.202 . . . . 0.0 111.228 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.68 148.43 41.76 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.427 2.085 . . . . 0.0 112.109 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.38 -21.6 30.35 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.519 2.146 . . . . 0.0 112.621 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -80.44 -30.2 37.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -81.75 -29.12 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -124.16 146.58 48.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.975 0.417 . . . . 0.0 111.116 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -118.34 179.79 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.478 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tp -140.71 147.87 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.046 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mt -148.41 144.51 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -163.17 139.44 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.001 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.14 39.71 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.08 25.62 62.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -123.64 140.68 52.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -81.77 112.94 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.0 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.93 70.04 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -60.9 160.65 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -70.56 65.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.23 40.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -140.6 141.6 35.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -75.77 173.2 11.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -89.99 -39.08 13.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.174 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 t -58.54 -29.94 66.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -70.71 -30.66 67.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -94.36 12.8 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.365 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 54.45 40.93 32.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.86 0.362 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.2 mt -88.65 127.46 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -112.12 -169.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.22 141.94 45.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 58.35 27.37 15.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.9 m -80.06 134.79 36.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.781 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.93 104.45 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.53 120.46 37.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -66.18 137.04 56.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 71' ' ' LEU . 3.3 tt -121.28 151.97 39.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.13 94.81 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.433 ' CD2' HD22 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -82.28 107.01 14.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.945 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.3 pt -96.62 171.51 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.42 106.45 11.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.962 0.41 . . . . 0.0 110.975 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 t -81.37 107.07 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -98.83 125.26 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -90.57 162.66 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -40.6 87.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.98 -31.65 71.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.42 63.93 0.35 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.97 104.0 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.68 109.13 20.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.367 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.491 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 43.7 mm -113.29 141.36 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.979 0.419 . . . . 0.0 112.073 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.483 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -76.59 110.82 11.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.092 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.57 123.77 38.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.773 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -81.91 131.1 35.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.194 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -151.47 124.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.962 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.15 146.69 60.1 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.89 -28.41 48.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.486 2.124 . . . . 0.0 112.175 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.86 31.35 4.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -98.95 118.05 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.9 p -59.21 162.86 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HA ' HG23 ' A' ' 26' ' ' VAL . 45.2 mm -58.52 -37.83 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -58.84 -41.77 87.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -66.36 -31.04 71.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.212 0.53 . . . . 0.0 110.403 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 23' ' ' ILE . 2.8 t -75.89 -55.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.728 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -58.18 -23.77 56.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -63.81 -60.52 3.18 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.862 178.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -59.94 -43.78 94.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.153 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.23 -30.39 48.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.242 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -71.43 -38.7 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.536 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -83.79 -14.01 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.295 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.83 -28.27 13.93 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.285 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -118.2 -37.82 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.402 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.75 28.92 6.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.347 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.1 mt -108.04 116.41 57.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.51 0.195 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.49 142.24 81.18 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.427 2.085 . . . . 0.0 112.282 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.42 -30.87 89.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.471 2.114 . . . . 0.0 112.491 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.08 23.3 6.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.272 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -120.35 -32.83 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -113.56 141.86 46.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.065 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -106.38 152.15 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.18 147.03 47.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.038 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.4 mt -149.3 142.73 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -158.25 141.54 15.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 37.93 29.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.2 26.8 68.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -126.36 145.34 50.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -83.94 109.44 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 4.7 mp -69.19 100.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.45 159.36 16.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.1 115.96 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.81 16.01 7.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.652 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.29 131.11 55.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.0 p -95.03 149.42 21.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.512 ' CD2' ' HB ' ' A' ' 61' ' ' ILE . 5.4 mp -57.89 -30.69 66.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.6 t -59.41 -29.89 68.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.783 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.89 -47.54 10.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.772 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 6.9 m-85 -73.3 -11.5 60.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.314 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 68.93 42.35 1.33 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.512 ' HB ' ' CD2' ' A' ' 56' ' ' LEU . 45.7 mt -86.39 99.91 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -71.41 -176.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -71.97 149.86 44.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 52.92 25.55 4.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 m -72.82 147.47 45.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.729 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.74 104.54 17.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.62 119.73 33.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -71.03 119.78 15.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.421 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.9 tt -110.31 152.64 25.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.1 t -137.83 94.92 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.421 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 15.1 mt -72.69 124.8 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.804 0.335 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt -91.84 145.02 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -97.48 110.21 22.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.98 0.419 . . . . 0.0 111.193 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.4 t -85.57 110.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.789 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -97.84 134.75 40.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -101.06 163.05 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 8' ' ' LEU . 1.4 tm? -59.62 -42.51 92.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.6 p -59.35 -29.77 67.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.81 64.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 112.22 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.34 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.05 115.14 29.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.46 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 42.7 mm -117.31 140.96 38.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.936 0.398 . . . . 0.0 112.02 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.472 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.99 110.89 10.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.108 179.392 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.05 127.51 45.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.758 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -86.02 130.13 34.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.041 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 m -151.58 119.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.81 138.77 90.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.81 -26.26 47.03 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.437 2.091 . . . . 0.0 112.283 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.58 39.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -129.31 128.18 42.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 p -59.81 174.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -66.67 -31.47 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.86 -40.03 87.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' C ' ' HB3' ' A' ' 28' ' ' ALA . 27.1 t-20 -65.48 -31.4 72.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.195 0.521 . . . . 0.0 110.478 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.44 -56.73 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.752 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -57.33 -23.73 50.58 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB3' ' C ' ' A' ' 25' ' ' ASN . . . -64.2 -60.97 2.57 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.721 178.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -60.52 -42.24 96.03 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.086 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.0 mt -63.58 -28.53 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.284 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.8 -38.44 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.549 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.07 -14.25 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.192 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -97.2 -28.71 13.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.662 0.268 . . . . 0.0 111.287 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.85 -37.35 3.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.427 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.32 29.63 5.95 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.243 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.5 mt -113.2 111.54 50.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.492 0.187 . . . . 0.0 111.198 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.58 152.51 12.39 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.375 2.05 . . . . 0.0 112.364 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.81 -48.79 19.35 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.623 2.215 . . . . 0.0 112.487 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.2 -29.51 61.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -58.98 -30.92 68.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.086 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -128.36 168.15 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.171 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 -133.55 166.05 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.678 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tp -132.72 146.78 52.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -142.0 149.11 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.967 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.416 ' CD1' HD21 ' A' ' 67' ' ' LEU . 5.6 t80 -161.72 129.89 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.43 40.01 29.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.74 24.31 69.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.539 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -121.1 124.52 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.354 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.54 102.83 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.98 79.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.78 158.25 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -63.63 113.52 3.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.14 21.2 6.0 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.571 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -116.47 134.03 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 p -72.45 171.58 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.4 mt -89.96 -36.7 14.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -57.91 -29.45 65.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -63.63 -31.18 72.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -101.78 9.67 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.36 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 m120 55.68 43.36 28.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.349 . . . . 0.0 111.029 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.419 HD13 HG22 ' A' ' 61' ' ' ILE . 26.5 mt -78.7 114.49 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.191 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -168.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.83 148.73 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 55.51 26.01 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.9 m -75.22 -175.59 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.761 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.98 99.47 6.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 45' ' ' PHE . 12.2 mt -92.04 119.08 31.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -66.4 138.46 57.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.427 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.6 tt -127.47 148.8 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.02 98.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.427 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 19.2 mt -80.76 116.83 20.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.72 0.295 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 pt -86.78 142.69 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE1' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -93.49 108.37 20.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.969 0.414 . . . . 0.0 111.202 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 t -83.73 105.17 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.822 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -93.51 129.47 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -93.38 166.87 12.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 -46.5 88.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.7 p -60.31 -30.19 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.11 55.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.85 101.53 6.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.35 106.64 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.514 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.454 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 45.9 mm -112.43 138.6 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 112.016 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.461 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -74.57 110.86 9.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.056 179.284 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.43 126.78 45.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.837 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -84.95 130.65 34.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.937 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.32 120.89 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.04 141.43 90.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.19 -34.73 88.99 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.411 2.074 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -32.47 63.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -59.44 136.88 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.1 p -78.57 -175.59 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mm -65.19 -35.46 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -57.67 -41.37 81.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.404 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 2.7 t30 -65.02 -30.89 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.123 0.487 . . . . 0.0 110.41 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -77.29 -56.66 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.856 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -56.44 -24.76 47.46 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -64.25 -61.35 2.3 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.951 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -60.32 -43.39 96.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.044 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.68 -29.23 46.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.333 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -39.83 67.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.56 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.75 -13.15 54.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.259 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 -28.67 13.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.25 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -118.67 -37.29 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.392 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.24 31.08 5.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.242 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.4 mt -117.15 107.08 46.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.546 0.212 . . . . 0.0 111.197 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -51.03 154.73 6.94 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.442 2.095 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.26 -62.9 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 112.482 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -59.65 -28.71 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -60.26 -37.09 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.191 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -120.65 174.8 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 111.187 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.52 164.49 27.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.684 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tp -136.79 143.52 43.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.123 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -140.85 142.0 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.416 ' CD1' HD23 ' A' ' 67' ' ' LEU . 33.4 t80 -159.32 137.66 10.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.95 39.08 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.22 26.61 64.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.498 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -125.79 146.2 49.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -83.98 118.29 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD13 ' CG ' ' A' ' 59' ' ' TYR . 6.5 mp -83.61 75.68 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.38 159.28 31.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -70.48 66.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.58 40.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -143.15 142.69 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -76.02 175.18 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.3 mt -89.93 -38.03 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.194 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.5 t -57.5 -30.1 64.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -71.87 -30.77 65.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CG ' HD13 ' A' ' 50' ' ' LEU . 30.4 m-85 -93.3 4.12 54.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.438 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.3 m120 59.12 41.84 19.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.815 0.34 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.415 HG12 ' CD2' ' A' ' 45' ' ' PHE . 25.1 mt -87.01 118.61 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -102.25 -177.79 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.89 143.37 55.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 58.23 26.65 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.9 m -72.95 150.52 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.06 101.44 13.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.416 HD23 ' CD1' ' A' ' 45' ' ' PHE . 15.1 mt -92.55 121.3 33.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.673 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -75.09 113.11 12.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.6 tt -100.03 149.03 23.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.38 97.55 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.984 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.405 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 12.9 mt -74.91 116.81 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.788 0.328 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.0 pt -92.12 144.7 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.797 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -96.34 108.63 21.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.046 0.451 . . . . 0.0 111.229 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -85.25 112.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.764 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -94.5 140.41 29.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.6 p -104.23 168.75 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -48.14 82.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -29.46 66.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.5 46.26 0.63 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.549 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 112.19 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.97 115.95 31.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.559 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 44.2 mm -118.38 142.37 33.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 112.087 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.454 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.71 110.92 11.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.356 179.372 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.78 116.43 20.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.542 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -89.52 123.63 33.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.113 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -141.38 133.5 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.005 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.74 143.63 98.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.97 -47.5 20.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.376 2.05 . . . . 0.0 112.25 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -58.63 -34.44 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.002 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.65 123.55 16.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.8 p -59.12 178.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.437 HD11 HG21 ' A' ' 23' ' ' ILE . 42.0 mm -64.44 -36.14 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 17.7 tt0 -58.62 -40.48 83.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 14.9 t-20 -64.44 -33.93 77.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.23 0.538 . . . . 0.0 110.591 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t -71.44 -57.48 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.997 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.99 -22.2 60.15 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -61.9 -59.48 5.06 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.655 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -60.05 -41.71 92.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.984 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.02 -25.45 38.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.563 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.89 -39.1 44.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.634 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.49 -15.07 53.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.59 -32.43 12.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.703 0.287 . . . . 0.0 111.432 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.23 -36.65 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.509 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.19 29.15 6.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.384 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.0 mt -115.48 110.96 44.39 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.555 0.217 . . . . 0.0 111.169 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.57 146.36 34.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.415 2.077 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.21 -35.09 95.0 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.451 2.101 . . . . 0.0 112.401 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -80.78 -31.24 35.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.04 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -29.14 68.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -126.41 138.16 53.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.6 mtt85 -99.32 168.44 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.672 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -139.47 124.72 18.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.52 142.65 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.426 ' CD1' HD21 ' A' ' 67' ' ' LEU . 59.2 t80 -149.76 126.06 10.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.03 31.29 19.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.84 26.0 70.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -122.77 139.71 53.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -85.15 108.55 17.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.431 HD22 ' HG ' ' A' ' 43' ' ' LEU . 8.6 mp -64.53 81.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.6 145.2 40.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.89 74.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.36 43.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -140.8 142.18 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.804 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -80.61 146.91 30.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.22 -30.33 66.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -58.09 -30.63 66.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.23 -41.48 76.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.725 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CE2' HD12 ' A' ' 23' ' ' ILE . 47.5 m-85 -85.7 -14.42 45.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 m120 66.61 54.32 0.86 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' A' ' 45' ' ' PHE . 22.3 mt -91.84 97.24 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -60.15 -169.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.98 147.54 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 58.18 24.24 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.68 -170.2 1.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.534 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -125.05 98.65 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' HB3' HD12 ' A' ' 43' ' ' LEU . 6.7 mt -82.95 138.33 33.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.575 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -89.24 103.34 15.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.335 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.0 tt -90.19 153.57 20.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.801 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.87 94.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.437 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 50.1 mt -73.96 113.28 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.764 0.316 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.9 pt -88.29 172.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -122.36 101.42 7.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.0 111.081 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.3 t -77.36 112.09 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -100.0 135.5 41.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.998 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 p -99.06 172.79 7.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.32 -47.51 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -57.46 -28.7 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.78 69.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.425 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.83 110.08 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.994 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.13 114.73 28.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.542 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 41.5 mm -116.52 141.62 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.065 0.46 . . . . 0.0 111.984 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.81 110.83 10.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.289 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.0 126.2 42.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.756 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -85.2 130.9 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.144 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.8 m -148.13 119.87 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.037 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.94 141.73 89.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.36 -33.47 96.26 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.351 2.034 . . . . 0.0 112.245 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -92.91 47.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.993 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -132.65 148.2 52.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p -81.89 170.4 15.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mm -61.62 -32.52 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -58.92 -40.78 85.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.417 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -65.51 -30.96 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.194 0.521 . . . . 0.0 110.462 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.53 -56.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.77 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -57.15 -24.05 51.61 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -63.91 -61.46 2.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.905 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -59.94 -43.59 94.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.07 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.04 -28.34 44.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.428 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -73.16 -39.58 65.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.507 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -82.92 -14.49 54.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.224 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.0 -27.98 14.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.376 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -119.08 -39.33 2.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.359 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.79 28.09 5.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.429 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.0 mt -110.37 108.82 58.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.556 0.217 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.94 149.06 21.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.541 2.161 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -57.92 -30.69 90.56 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.54 2.16 . . . . 0.0 112.417 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -95.7 23.88 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -118.24 -31.8 4.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -121.47 166.18 14.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.037 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -128.16 163.47 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.687 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 tp -132.6 144.56 50.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.067 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -140.71 146.36 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.422 ' CG ' HD21 ' A' ' 67' ' ' LEU . 5.5 t80 -160.33 133.38 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.08 33.12 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.95 21.79 78.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.628 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 142.22 47.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -85.15 101.36 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' A' ' 59' ' ' TYR . 6.0 mp -67.44 79.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.77 159.89 28.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.95 116.28 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.85 16.69 9.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.63 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -110.77 132.22 54.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 110.789 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.38 168.55 18.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.034 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 56' ' ' LEU . 1.3 mt -86.12 -41.43 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -57.2 -29.17 63.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.52 -31.07 70.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.42 ' CE2' HD12 ' A' ' 50' ' ' LEU . 40.1 m-85 -98.11 10.09 41.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.382 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 56.47 42.31 27.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.825 0.345 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.415 HG12 ' CD2' ' A' ' 45' ' ' PHE . 27.9 mt -82.65 128.48 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -112.17 -168.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -77.82 141.54 39.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 58.89 27.93 16.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.1 m -80.09 137.39 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.14 105.56 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.422 HD21 ' CG ' ' A' ' 45' ' ' PHE . 10.9 mt -97.55 120.77 38.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -68.14 137.39 54.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.427 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.8 tt -126.09 151.05 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.85 94.94 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.427 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 6.5 mt -77.61 120.89 23.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.626 0.25 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 pt -86.04 142.16 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -100.03 106.55 18.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.969 0.414 . . . . 0.0 111.148 -179.802 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.453 HG21 HD13 ' A' ' 30' ' ' ILE . 22.1 t -81.29 105.67 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -95.86 123.21 39.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.6 p -87.89 175.84 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.002 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -50.98 71.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -57.76 -28.11 63.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.48 41.51 0.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.99 100.15 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.51 106.35 17.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.512 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 44.9 mm -111.71 139.95 33.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.461 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.92 110.94 10.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.117 179.337 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.75 132.13 52.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.5 130.06 35.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.087 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -154.34 119.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.911 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -60.33 139.89 91.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.99 -27.21 62.79 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.414 2.076 . . . . 0.0 112.311 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.7 m -96.47 39.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -127.68 133.93 49.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.802 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.4 p -64.33 170.94 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HA ' HG22 ' A' ' 26' ' ' VAL . 40.6 mm -63.71 -31.13 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -58.7 -40.88 84.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.407 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 28.4 t-20 -64.5 -31.05 72.1 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.12 0.486 . . . . 0.0 110.423 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 23' ' ' ILE . 2.6 t -76.9 -57.28 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.896 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -56.35 -24.26 42.88 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -64.2 -61.84 1.99 Allowed 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.938 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -59.82 -43.01 94.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.045 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.453 HD13 HG21 ' A' ' 5' ' ' VAL . 81.9 mt -63.1 -29.05 46.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.335 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -72.72 -39.15 67.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.496 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -83.37 -14.55 52.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.29 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -98.52 -28.99 13.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.767 0.318 . . . . 0.0 111.374 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -116.87 -36.72 3.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.407 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.41 26.41 7.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.396 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.41 HD12 HG21 ' A' ' 36' ' ' ILE . 30.9 mt -110.9 103.96 55.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.567 0.222 . . . . 0.0 111.125 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.93 149.56 14.56 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.477 2.118 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.55 -28.96 76.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.582 2.188 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -97.04 27.27 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -123.08 -38.34 2.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -115.01 164.79 13.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.129 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -124.45 162.72 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.688 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -134.33 137.23 44.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.2 mt -136.29 137.79 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -153.59 131.82 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.3 43.28 26.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 24.55 58.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -120.24 140.61 50.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.796 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -84.07 107.26 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD12 ' CE1' ' A' ' 59' ' ' TYR . 6.0 mp -72.2 76.52 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.781 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -73.77 158.53 34.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.1 113.73 3.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.61 19.23 6.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.666 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -116.25 136.15 53.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -73.8 172.48 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' HA ' HD21 ' A' ' 56' ' ' LEU . 1.3 mt -89.98 -36.73 14.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -57.64 -30.19 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.61 -30.92 71.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.414 ' CE1' HD12 ' A' ' 50' ' ' LEU . 59.9 m-85 -98.77 2.74 47.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.414 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 58.78 51.2 7.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -88.29 103.93 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -83.25 -170.41 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 145.65 31.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 56.18 26.42 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.008 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 m -70.59 -175.97 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.767 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.1 104.79 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.999 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 mt -94.72 119.1 32.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -71.04 113.11 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.8 tt -100.91 144.27 30.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.4 t -134.57 98.65 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.435 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 2.5 mm? -70.03 118.28 12.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.77 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.836 0.351 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.403 ' O ' ' CD2' ' B' ' 27' ' ' PHE . 35.9 p -109.37 30.79 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.419 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 5.2 mp0 -71.23 -41.05 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.96 -21.13 22.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -54.56 -56.39 19.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.152 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 28' ' ' LEU . 12.6 p90 -72.74 -30.84 64.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 15.9 tp -66.17 -36.11 82.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -31.74 65.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.425 ' CZ2' ' HG3' ' B' ' 34' ' ' GLU . 7.7 t90 -71.53 -33.07 68.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.54 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -28.07 63.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -57.31 -61.56 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -33.3 72.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.425 ' HG3' ' CZ2' ' B' ' 30' ' ' TRP . 0.3 OUTLIER -58.48 -32.64 68.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.52 -29.61 24.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.89 77.55 9.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -105.09 149.6 25.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -151.94 -61.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.5 ptp -113.67 -40.47 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.523 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ttt . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.899 0.38 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.03 105.58 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 pt -97.51 171.35 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -119.97 107.43 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.049 0.452 . . . . 0.0 111.07 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.6 t -82.56 106.64 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -95.91 128.6 42.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.3 p -92.52 169.49 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.69 -46.33 87.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.6 p -59.62 -29.66 68.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.35 46.97 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 102.03 8.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.38 108.28 19.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.424 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.485 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 43.7 mm -112.06 141.44 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.015 0.436 . . . . 0.0 112.059 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.479 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.12 110.88 10.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.184 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.57 122.3 32.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.763 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.82 130.72 35.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.024 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 m -152.82 128.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.189 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.39 147.67 98.18 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.33 -40.79 55.49 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.421 2.081 . . . . 0.0 112.214 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -30.95 69.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.35 126.3 26.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.7 p -64.2 173.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -62.63 -33.0 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.98 -40.91 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' C ' ' HB3' ' A' ' 28' ' ' ALA . 18.6 t-20 -64.89 -30.9 71.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.148 0.499 . . . . 0.0 110.516 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.68 -57.51 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.844 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -56.23 -24.55 43.01 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB3' ' C ' ' A' ' 25' ' ' ASN . . . -63.79 -60.31 3.46 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.691 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -61.18 -43.18 99.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.915 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.2 mt -62.73 -26.58 41.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.316 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.26 -37.77 57.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.465 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -83.97 -13.67 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.327 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.79 -29.49 13.33 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.759 0.314 . . . . 0.0 111.284 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -117.27 -36.74 3.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.34 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.9 27.69 6.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.324 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.8 mt -107.97 112.52 61.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.515 0.198 . . . . 0.0 111.117 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -51.99 146.82 28.17 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.421 2.081 . . . . 0.0 112.314 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.66 -35.71 97.61 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.544 2.163 . . . . 0.0 112.443 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.75 23.17 6.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.2 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -116.64 -27.68 6.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -121.84 131.19 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.074 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -102.51 127.26 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.611 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tp -103.75 144.1 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 111.256 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.36 149.78 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.414 ' CG ' HD21 ' A' ' 67' ' ' LEU . 8.1 t80 -157.79 132.55 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.47 30.55 18.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.01 26.82 71.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -124.85 135.33 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 109.02 14.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mp -66.25 101.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.86 152.7 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.38 -30.18 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.04 53.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -137.19 150.9 48.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 p -87.91 174.79 8.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.8 mt -89.97 -47.39 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.302 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.6 t -51.96 -26.04 9.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -31.07 71.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.758 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -100.78 11.03 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 58.53 43.74 18.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.456 HD13 HG22 ' A' ' 61' ' ' ILE . 26.2 mt -84.14 104.82 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -91.54 -168.67 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 144.76 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 56.23 25.4 9.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.02 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 m -70.83 139.81 51.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.697 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.4 98.77 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.414 HD21 ' CG ' ' A' ' 45' ' ' PHE . 13.1 mt -91.12 120.1 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.592 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -71.26 128.48 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.929 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.6 tt -114.39 149.66 35.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.1 95.04 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.053 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.412 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 44.3 mt -70.78 114.94 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 ttm-85 -73.86 110.5 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.71 174.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 60.47 103.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.55 -117.08 4.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.483 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 73.4 p -59.41 -36.63 76.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -50.85 63.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.83 -29.24 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -58.36 -52.58 65.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -60.23 -26.73 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 tp -59.37 -37.95 79.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.761 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -67.88 -32.84 73.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.532 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -62.42 -31.7 72.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.538 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.419 ' CZ3' HG12 ' A' ' 44' ' ' ILE . 3.4 t-105 -73.0 -34.88 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -60.04 -39.86 87.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 14.1 p -72.41 -31.66 65.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.98 -37.68 80.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -31.47 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.05 97.37 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -74.32 87.3 2.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -106.09 -44.74 4.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.5 ttp -60.33 -64.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.551 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.801 0.334 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.09 84.68 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 pt -85.06 139.17 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -97.89 107.02 19.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.176 -179.701 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -83.47 109.03 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -98.84 121.9 41.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -88.45 168.12 12.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -49.41 77.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -55.98 -27.33 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.01 68.03 0.56 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.406 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.07 103.46 4.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.08 106.5 17.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.366 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 39.9 mm -111.75 140.13 32.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.471 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.52 110.78 11.35 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.046 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.52 127.73 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.41 130.59 34.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.14 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.4 m -152.84 123.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.89 145.68 88.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.679 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.82 -26.48 74.79 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.506 2.137 . . . . 0.0 112.244 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.5 m -96.32 40.42 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -127.72 140.62 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 p -70.39 164.59 24.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.403 ' HA ' HG22 ' A' ' 26' ' ' VAL . 39.1 mm -60.1 -33.05 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.1 -40.66 86.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 2.4 t30 -64.87 -31.03 72.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.167 0.508 . . . . 0.0 110.582 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 23' ' ' ILE . 2.7 t -75.49 -58.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.909 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -56.58 -24.7 49.17 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -62.94 -57.72 9.79 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.541 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -62.02 -40.25 95.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.813 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.409 HD11 HG21 ' A' ' 30' ' ' ILE . 73.0 mt -64.17 -27.58 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.306 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -73.73 -45.69 50.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.516 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -74.72 -19.11 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -90.62 -57.79 2.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.142 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -85.13 -33.42 22.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.41 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.47 26.49 7.67 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.253 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.8 mt -117.17 118.71 35.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.531 0.205 . . . . 0.0 111.18 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.24 153.7 26.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.433 2.089 . . . . 0.0 112.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.87 -24.89 17.28 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.601 2.201 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.33 29.15 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -128.01 -40.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -106.87 130.89 54.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.096 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -99.37 121.46 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.572 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' CD2' HD23 ' A' ' 50' ' ' LEU . 1.2 tp -95.61 150.36 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.284 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.419 HG12 ' CZ3' ' B' ' 31' ' ' TRP . 3.5 mp -141.06 148.57 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.949 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.414 ' CD1' HD23 ' A' ' 67' ' ' LEU . 48.3 t80 -149.63 130.05 13.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 22.13 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.367 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.57 -24.52 25.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.691 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -77.35 136.45 38.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 110.982 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -76.89 121.98 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.417 HD23 ' CD2' ' A' ' 43' ' ' LEU . 3.9 mp -76.78 93.97 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.49 156.2 38.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -55.56 -29.18 58.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.93 62.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -140.94 142.71 34.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.48 175.51 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.4 mt -90.01 -57.85 2.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.315 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -51.94 -26.29 10.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.232 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -72.95 -31.02 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.817 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -93.06 8.79 38.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.305 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.0 m120 61.16 39.9 15.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.774 0.321 . . . . 0.0 111.171 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.9 mt -85.2 99.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.014 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -82.77 -175.27 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 146.13 34.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 56.36 25.17 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -70.55 -175.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.87 100.85 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 45' ' ' PHE . 13.4 mt -93.31 121.99 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.651 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -75.68 125.39 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.027 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 tt -108.45 142.02 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.58 95.7 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.49 106.01 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -75.19 148.22 39.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 tp -88.12 120.52 29.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -111.98 86.79 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.09 52.27 0.16 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.477 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 25.4 m -98.33 33.17 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -84.88 -42.0 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.96 -46.18 62.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.446 ' O ' ' CE3' ' B' ' 30' ' ' TRP . 67.2 m-20 -60.2 -31.06 69.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.03 -19.67 1.14 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.694 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.07 -69.05 0.14 Allowed 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -50.71 -21.85 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.72 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.446 ' CE3' ' O ' ' B' ' 26' ' ' ASP . 8.6 m-90 -90.31 11.01 22.62 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.449 ' CZ2' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -110.07 12.91 23.42 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.666 0.27 . . . . 0.0 111.289 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -79.42 -51.09 9.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.62 -31.25 71.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.28 -36.34 74.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -94.24 16.21 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.3 72.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.854 0.359 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -100.52 127.51 46.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -135.8 31.55 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.31 -31.8 10.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.518 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.809 0.338 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -72.91 81.17 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 pt -96.09 150.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -106.64 112.47 25.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 0.0 111.139 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.0 t -86.21 108.13 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.806 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -96.13 128.69 43.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -90.19 -171.15 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.23 -58.01 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.016 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -56.27 -29.18 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.001 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.45 -3.64 9.5 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.801 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.74 111.33 0.98 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.916 0.389 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.53 117.37 33.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.537 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.493 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 42.1 mm -115.52 140.62 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.097 0.475 . . . . 0.0 112.18 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.484 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.21 110.83 11.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.112 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.17 132.32 51.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.963 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.51 129.59 35.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.069 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.7 m -155.78 118.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.999 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.08 140.32 94.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.58 -27.98 62.88 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.474 2.116 . . . . 0.0 112.201 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.4 m -96.82 41.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.1 136.17 50.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -64.67 160.39 19.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.697 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.414 ' HA ' HG21 ' A' ' 26' ' ' VAL . 42.6 mm -58.64 -29.54 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -59.59 -41.04 89.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.403 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 47.7 t30 -63.83 -30.84 71.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.138 0.494 . . . . 0.0 110.531 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG21 ' HA ' ' A' ' 23' ' ' ILE . 2.9 t -76.25 -58.1 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.976 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -56.23 -24.36 41.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -63.85 -60.46 3.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.803 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -60.68 -43.56 97.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.022 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -62.02 -30.04 47.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.184 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.3 tm0? -71.74 -39.52 70.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.513 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.63 -12.99 55.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.248 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.04 -29.69 12.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.644 0.259 . . . . 0.0 111.248 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -116.81 -36.45 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.42 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.43 28.61 7.05 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.311 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -113.82 108.67 51.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.501 0.191 . . . . 0.0 111.132 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.97 153.66 8.41 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.392 2.061 . . . . 0.0 112.256 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.17 -63.35 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.522 2.148 . . . . 0.0 112.458 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -59.18 -21.28 59.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.382 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -71.92 -31.63 66.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.288 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -128.16 135.04 49.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 111.234 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -96.56 175.17 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.715 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tp -142.89 137.95 29.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.023 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.449 ' CD1' ' CZ2' ' B' ' 31' ' ' TRP . 30.0 mt -138.59 141.09 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -152.26 130.81 12.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.55 38.0 29.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.187 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.43 26.1 70.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -122.32 141.02 51.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -80.42 117.43 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 59' ' ' TYR . 4.3 mp -82.65 79.01 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.62 151.21 25.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -53.01 -29.45 29.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.09 61.1 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -146.93 145.13 29.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.746 0.308 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -83.21 178.69 7.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HA ' HD21 ' A' ' 56' ' ' LEU . 1.4 mt -90.02 -40.64 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.224 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -57.25 -28.64 63.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.49 -30.04 70.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 71.2 m-85 -101.15 16.45 25.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 53.78 39.52 30.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.0 mt -78.16 117.2 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -103.24 -178.98 3.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.63 139.81 56.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 54.67 28.94 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -67.33 148.13 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.784 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.0 101.2 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 mt -93.44 119.13 32.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.742 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -70.75 126.16 28.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.4 tt -111.31 146.61 36.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.3 t -127.11 94.97 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.038 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.415 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 36.7 mt -73.34 103.3 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -74.42 157.11 36.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.37 -177.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -127.49 108.62 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.15 -169.12 32.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.497 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.849 0.356 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.0 -32.34 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -60.05 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -62.22 -31.27 71.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.002 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.7 -31.2 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.51 -29.21 70.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 tp -61.07 -46.53 90.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.683 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.78 -32.98 74.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -59.92 -27.95 67.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.683 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -56.65 -23.77 43.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -55.91 -31.28 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.1 p -85.02 -38.65 18.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -34.63 76.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -94.66 16.33 15.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.264 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.04 31.19 3.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.799 0.333 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -118.84 35.7 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -99.3 -31.82 11.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -47.19 14.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.546 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 ttt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -96.04 114.19 25.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.4 HD12 HG23 ' A' ' 17' ' ' VAL . 15.3 pt -103.74 176.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -125.84 112.85 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.106 0.479 . . . . 0.0 111.277 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.483 HG22 HD12 ' A' ' 30' ' ' ILE . 45.6 t -89.06 107.68 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.594 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -89.81 142.42 27.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.3 p -104.96 163.89 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.804 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -46.08 85.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -29.22 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.67 58.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.448 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -135.49 111.63 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.13 115.84 30.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.262 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.499 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 28.4 mm -114.11 142.35 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.473 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -71.3 115.6 10.64 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.562 178.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD2' ' CG1' ' A' ' 30' ' ' ILE . 5.5 tp -130.1 113.4 14.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.912 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -82.27 119.04 23.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.151 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.4 HG23 HD12 ' A' ' 3' ' ' ILE . 8.2 m -143.34 120.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.68 155.41 21.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.11 -26.9 83.41 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.55 2.167 . . . . 0.0 112.053 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -97.39 26.75 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.757 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -99.55 109.94 22.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.97 160.16 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -55.95 -37.05 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.91 -41.53 91.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 8.9 t-20 -66.93 -32.44 73.69 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.299 0.571 . . . . 0.0 110.477 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -74.75 -55.23 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.596 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -57.84 -25.24 60.42 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -61.91 -57.74 10.61 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.72 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -60.2 -38.82 84.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.149 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.483 HD12 HG22 ' A' ' 5' ' ' VAL . 82.3 mt -66.23 -30.8 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.466 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -71.59 -40.58 69.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.806 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.2 -15.64 40.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.422 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -91.88 -35.2 14.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.686 0.279 . . . . 0.0 111.249 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.58 -27.89 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.338 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.65 30.96 7.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.358 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.9 mt -123.19 108.36 32.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.577 0.227 . . . . 0.0 111.2 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.46 152.96 11.15 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.558 2.172 . . . . 0.0 112.311 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.92 -54.77 4.52 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.579 2.186 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.73 -29.9 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.76 -54.34 47.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -120.73 135.37 55.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -98.47 -177.42 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.674 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.403 ' CD2' HD21 ' A' ' 50' ' ' LEU . 1.4 tp -145.1 154.1 42.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.167 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -145.65 152.56 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' HD23 ' A' ' 67' ' ' LEU . 13.0 t80 -161.68 137.21 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.3 35.16 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.69 26.64 72.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.508 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -128.22 125.17 38.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.59 110.25 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 6.4 mp -63.87 113.78 3.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -166.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -106.34 30.26 6.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.81 32.17 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.453 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -109.7 144.93 37.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.8 147.3 27.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' CD2' ' HB ' ' A' ' 61' ' ' ILE . 5.5 mp -56.42 -33.38 65.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.035 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.5 t -57.4 -27.82 62.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.734 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.96 -41.62 11.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.786 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.413 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 3.0 m-85 -76.1 -11.27 59.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 m120 69.63 39.53 1.52 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.503 ' HB ' ' CD2' ' A' ' 56' ' ' LEU . 51.2 mt -87.14 99.51 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.804 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.65 -170.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.76 155.13 24.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 48.32 27.86 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.228 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 m -74.86 -178.86 3.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.77 99.9 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.419 HD23 ' CD1' ' A' ' 45' ' ' PHE . 12.2 mt -89.82 126.54 35.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.487 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -76.89 118.73 19.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.008 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 5.4 tt -103.97 135.24 45.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.7 t -116.58 100.12 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 2.0 mt -80.49 112.61 17.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -72.4 92.85 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.68 150.44 36.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -92.64 -178.1 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.49 118.99 1.79 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.488 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.728 0.299 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.04 -29.85 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.061 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -60.0 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -28.48 66.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -38.58 78.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.059 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -59.47 -33.92 71.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 tp -62.6 -53.6 52.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.654 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -60.99 -30.78 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.472 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -59.49 -32.13 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.533 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -78.98 -28.78 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -31.19 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.6 p -87.69 -31.51 19.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.79 -34.78 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.71 -31.14 41.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.87 78.56 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -124.05 136.28 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.93 32.24 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -136.52 -53.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.507 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.806 0.336 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -101.83 111.54 23.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.692 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.445 HD11 HG23 ' A' ' 17' ' ' VAL . 6.7 pt -103.83 173.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -119.53 110.38 16.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.149 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.8 t -86.27 106.42 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -93.72 131.75 38.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -93.39 159.77 15.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.56 -33.12 69.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -71.27 -30.56 66.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.97 60.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.5 105.06 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.46 110.98 23.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.394 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.464 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 38.5 mm -113.49 142.74 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.998 0.428 . . . . 0.0 112.146 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.25 117.14 16.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.045 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.77 118.94 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.684 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -80.4 124.23 28.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.158 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.445 HG23 HD11 ' A' ' 3' ' ' ILE . 8.3 m -141.59 120.3 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.014 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.88 143.63 87.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.65 -29.66 60.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.491 2.127 . . . . 0.0 112.298 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 t -95.11 43.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.91 148.11 49.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.7 p -76.08 172.96 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.773 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.414 ' HA ' HG23 ' A' ' 26' ' ' VAL . 37.0 mm -66.38 -30.62 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.56 -43.79 72.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.076 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.425 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 28.6 t-20 -65.82 -30.84 71.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.076 0.465 . . . . 0.0 110.79 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG23 ' HA ' ' A' ' 23' ' ' ILE . 3.5 t -74.91 -59.31 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.053 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -56.9 -23.86 47.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.425 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -63.45 -57.76 9.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.825 178.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -62.99 -42.55 99.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.016 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -63.15 -28.1 44.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.325 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -71.12 -54.08 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.539 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.37 -21.43 65.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.66 -74.58 0.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.895 0.379 . . . . 0.0 111.15 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -69.97 -30.86 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.39 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.23 28.56 8.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.345 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -122.9 114.52 29.62 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.49 0.186 . . . . 0.0 111.207 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.51 152.51 81.65 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.282 1.988 . . . . 0.0 112.188 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.16 -26.19 80.82 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.643 2.229 . . . . 0.0 112.546 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.38 -1.63 50.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.654 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -109.28 -26.63 9.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.688 0.28 . . . . 0.0 111.283 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -127.97 164.61 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 111.223 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -132.35 171.14 14.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.622 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tp -137.71 149.53 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -143.5 138.93 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -137.54 114.44 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.41 29.51 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.69 -26.3 20.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.567 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.46 136.07 56.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.354 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.41 112.65 21.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.58 74.64 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.37 169.23 18.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.59 64.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.52 36.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 5.1 mmp_? -137.29 140.05 41.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.788 0.328 . . . . 0.0 110.744 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.12 167.4 21.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 56' ' ' LEU . 2.9 mt -88.14 -61.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -25.57 12.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.173 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -63.86 -31.37 72.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.8 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 20.5 m-85 -99.08 5.49 46.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.339 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 59.54 70.04 0.67 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.912 0.387 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -109.07 97.53 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -74.7 -168.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.19 151.06 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.97 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 53.91 26.79 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.7 m -71.22 137.27 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.726 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.1 101.26 12.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.1 mt -93.38 122.43 35.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.694 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.32 114.52 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' A' ' 71' ' ' LEU . 5.0 tt -96.18 148.75 22.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.4 ' N ' HD21 ' A' ' 69' ' ' LEU . 22.9 t -127.88 94.9 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' CD2' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.25 103.97 3.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.762 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -59.07 169.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.23 174.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -72.63 145.08 47.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.36 168.2 34.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.467 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.788 0.327 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.7 p -110.07 -29.29 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -57.93 -55.76 30.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.31 -20.79 57.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -53.2 -58.44 7.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.213 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' B' ' 28' ' ' LEU . 11.3 p90 -67.37 -31.11 71.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 21.4 tp -63.1 -30.65 71.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -56.64 -30.44 63.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.755 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.448 ' CH2' ' CG ' ' B' ' 34' ' ' GLU . 50.5 t90 -59.98 -32.61 71.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.413 ' CD1' HG11 ' A' ' 70' ' ' VAL . 3.7 t-105 -60.35 -31.36 70.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -60.13 -42.9 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.88 -30.56 50.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.448 ' CG ' ' CH2' ' B' ' 30' ' ' TRP . 0.2 OUTLIER -58.32 -36.14 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.939 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -82.58 -30.95 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.84 96.34 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -143.59 166.0 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -138.98 32.2 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ttm -106.4 -66.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.538 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.773 0.321 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.07 90.73 8.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.473 HD11 HG23 ' A' ' 17' ' ' VAL . 5.7 pt -88.15 172.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -122.84 101.53 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 0.0 111.172 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -78.67 108.79 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.657 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -97.75 127.46 43.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.006 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.2 p -88.51 161.61 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.52 -39.74 84.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 p -61.09 -30.96 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.4 50.39 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.57 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.69 111.55 12.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.27 120.22 41.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 43.2 mm -121.35 141.06 43.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.476 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.37 110.89 11.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.087 179.212 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -125.18 123.21 39.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.747 -179.369 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -79.54 121.85 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.126 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.473 HG23 HD11 ' A' ' 3' ' ' ILE . 18.0 m -140.34 118.88 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -68.1 145.57 97.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.46 -46.14 29.54 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.455 2.103 . . . . 0.0 112.219 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -62.32 -35.41 78.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -58.68 146.98 34.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -88.5 177.16 6.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.96 -33.46 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.46 -41.55 85.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 7.1 t-20 -64.56 -30.92 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.25 0.547 . . . . 0.0 110.349 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.403 ' CG1' ' CG1' ' A' ' 17' ' ' VAL . 3.4 t -76.41 -57.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.888 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -55.99 -24.95 41.92 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.408 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -63.8 -62.14 1.84 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.07 178.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' HD11 ' A' ' 15' ' ' LEU . 16.2 mttt -60.69 -43.45 97.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.914 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.44 -27.23 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.377 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.88 -40.59 60.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.641 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -84.01 -11.94 56.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.411 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.16 -29.3 13.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.676 0.274 . . . . 0.0 111.178 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -118.62 -37.13 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.319 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.07 29.11 5.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.36 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.6 mt -111.66 105.73 56.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 0.0 111.043 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.19 148.41 18.36 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.492 2.128 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.7 -28.17 74.33 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.478 2.119 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.22 27.52 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.085 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.2 -41.15 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -109.8 157.97 18.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.044 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -129.14 132.53 47.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 tp -99.24 145.13 27.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.412 HD13 ' CE2' ' B' ' 31' ' ' TRP . 24.3 mt -139.85 134.86 38.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.052 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.421 ' CD1' HD21 ' A' ' 67' ' ' LEU . 15.7 t80 -141.04 125.99 18.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.52 30.76 17.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.48 25.75 64.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -119.08 139.24 52.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -85.05 107.7 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 59' ' ' TYR . 9.3 mp -73.35 76.96 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -59.59 151.69 23.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.15 -30.37 59.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.78 55.3 1.02 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -146.59 170.17 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.332 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 p -116.63 167.3 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mt -77.21 -42.14 38.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.247 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -55.11 -27.89 48.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.22 -31.91 68.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 66.2 m-85 -95.74 -4.41 44.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.428 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 62.66 60.28 1.34 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.8 mt -99.62 135.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -115.61 -177.62 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 144.32 57.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 57.68 29.12 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -74.94 127.16 32.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.76 100.97 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 45' ' ' PHE . 13.7 mt -97.25 118.02 32.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -70.8 126.63 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.042 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.9 tt -105.68 151.98 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.413 HG11 ' CD1' ' B' ' 31' ' ' TRP . 21.4 t -136.83 95.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.046 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.419 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 15.7 mt -73.05 122.44 21.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -92.56 149.18 21.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.1 178.18 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -162.48 100.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.78 -131.86 5.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.505 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 42.9 p -106.38 -65.62 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -74.78 -45.54 42.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.96 -30.06 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.94 -52.27 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CZ3' ' B' ' 30' ' ' TRP . 46.3 t80 -69.68 -23.69 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.54 -34.96 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.701 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -32.58 70.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.491 ' CZ3' ' CE2' ' B' ' 27' ' ' PHE . 5.2 t90 -59.36 -30.5 68.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.4 ' O ' ' CD1' ' B' ' 31' ' ' TRP . 4.1 t-105 -81.02 -30.88 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.792 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -70.86 -29.76 65.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.6 p -70.1 -48.78 56.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -55.88 -30.32 61.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -94.56 -28.64 15.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.65 83.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -96.5 99.35 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -127.74 31.7 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -96.32 -39.13 9.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.481 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 ttt . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -105.85 108.68 20.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -93.71 168.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -120.18 108.0 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.038 0.447 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.2 t -82.87 105.27 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.97 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -93.57 128.87 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.0 p -91.39 166.83 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.81 -47.26 85.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.3 p -60.65 -30.8 70.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.18 59.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.598 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.17 101.28 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.37 108.78 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.497 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 42.7 mm -111.55 140.68 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.048 0.451 . . . . 0.0 112.145 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.98 110.95 10.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.271 179.492 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.07 118.51 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.609 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -83.72 131.52 34.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.184 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.9 m -150.91 122.06 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.58 139.66 97.64 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.2 -35.07 90.17 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.36 2.04 . . . . 0.0 112.271 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -33.16 65.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.51 131.78 51.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.1 p -65.49 173.51 2.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.407 ' HA ' HG21 ' A' ' 26' ' ' VAL . 35.7 mm -64.33 -31.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -58.96 -40.56 85.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.063 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 17.3 t-20 -64.4 -30.92 71.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.076 0.465 . . . . 0.0 110.584 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' A' ' 23' ' ' ILE . 2.7 t -76.27 -57.03 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.973 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -57.99 -22.81 51.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -65.61 -57.01 9.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.838 -1.073 . . . . 0.0 109.594 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -63.87 -44.07 94.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.964 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.7 -32.71 54.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.236 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.74 -56.06 14.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.36 -25.73 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -74.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.258 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -20.17 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.498 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.55 29.74 23.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.194 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.9 mt -123.7 105.11 33.01 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.54 0.209 . . . . 0.0 111.164 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.67 151.77 18.4 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.385 2.056 . . . . 0.0 112.272 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.4 -46.08 36.15 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.547 2.165 . . . . 0.0 112.321 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -64.7 -30.98 72.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -65.87 -52.47 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.434 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 2.7 pp0? -120.31 138.22 53.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.37 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -96.3 -176.37 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.621 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 67' ' ' LEU . 6.6 tp -149.67 134.31 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mt -128.19 146.68 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 67' ' ' LEU . 7.4 t80 -153.84 121.77 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.88 40.65 32.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.23 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.89 24.15 75.74 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . 70.8 mmtt -115.15 140.52 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -91.37 104.29 16.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.404 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 9.8 mp -69.34 70.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.12 153.24 42.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -70.41 65.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.92 39.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -148.36 164.1 35.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.1 p -102.28 147.22 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.3 mt -59.1 -35.3 73.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.6 t -56.78 -29.25 62.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -35.31 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 29.9 m-85 -88.79 -9.58 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.337 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m120 63.47 63.88 0.85 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.407 HG12 ' CD2' ' A' ' 45' ' ' PHE . 29.8 mt -106.2 100.12 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -77.01 -169.34 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 143.21 46.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 57.54 28.21 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -69.46 133.82 48.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.745 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.36 102.18 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 45' ' ' PHE . 22.9 mt -94.69 124.83 38.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -76.97 107.62 9.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.503 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.447 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.4 tt -86.59 147.34 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.1 t -130.9 94.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.447 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 7.5 mt -74.01 122.18 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 118.66 3.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 tp -107.88 138.72 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -75.21 163.42 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.97 -105.27 0.19 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.493 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.821 0.343 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.8 30.66 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.422 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 0.0 OUTLIER -67.68 -59.46 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -74.23 -20.56 60.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.67 -62.75 1.45 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.098 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' B' ' 24' ' ' GLN . 11.1 p90 -65.46 -28.11 68.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 23.9 tp -58.73 -28.83 66.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.042 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -32.89 63.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.803 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.411 ' CZ3' ' HB2' ' B' ' 34' ' ' GLU . 63.2 t90 -59.96 -28.02 67.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -56.13 -24.04 38.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -56.5 -41.36 76.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.903 0.382 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 2.2 p -86.16 -31.8 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.411 ' HB2' ' CZ3' ' B' ' 30' ' ' TRP . 42.0 tp10 -59.65 -42.24 92.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -72.86 -30.72 64.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -45.38 84.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.33 154.61 38.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -175.76 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ttp -105.04 -35.22 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.291 -1.283 . . . . 0.0 112.423 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -103.51 99.32 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.8 pt -97.32 156.31 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -105.95 109.16 21.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.972 0.415 . . . . 0.0 111.245 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -83.79 106.12 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.731 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -91.57 139.01 31.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.95 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -103.05 170.77 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -48.31 82.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.3 p -59.32 -30.38 68.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.47 42.93 0.61 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.29 107.9 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.62 112.09 24.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.44 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.491 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 37.0 mm -113.39 141.71 28.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 112.156 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.47 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -77.81 110.8 13.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.06 179.27 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.04 123.84 42.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.26 115.26 20.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.379 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 m -143.71 118.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.87 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.09 154.47 29.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.26 -31.17 93.03 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.544 2.163 . . . . 0.0 112.053 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -96.86 26.22 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -97.49 113.34 25.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.93 157.45 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.018 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -55.32 -38.19 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.107 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.52 -42.16 91.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 31.0 t-20 -66.99 -32.4 73.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.204 0.526 . . . . 0.0 110.415 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -73.83 -55.51 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.685 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' CE ' ' CD2' ' A' ' 43' ' ' LEU . 4.4 mmtm -56.82 -24.97 54.79 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -61.77 -60.25 3.94 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.717 178.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -59.9 -43.2 94.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.989 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.2 mt -62.52 -25.93 39.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.434 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -78.18 -36.75 47.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.754 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -85.18 -13.37 50.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.443 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.56 -33.51 10.96 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.709 0.29 . . . . 0.0 111.254 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.54 -27.59 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.474 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.76 28.94 14.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.169 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.0 mt -113.34 111.95 49.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.543 0.211 . . . . 0.0 111.142 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.9 145.98 38.43 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.396 2.064 . . . . 0.0 112.237 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.9 -37.81 92.89 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.497 2.131 . . . . 0.0 112.373 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.4 -30.58 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -59.12 -30.66 68.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -131.39 162.83 29.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.121 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.16 166.81 14.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.679 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 ' CD2' ' CE ' ' A' ' 27' ' ' LYS . 7.4 tp -133.84 143.8 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.396 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.1 mt -139.6 144.39 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -142.27 123.77 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.77 31.39 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.233 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.09 25.38 62.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.439 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -122.49 113.5 19.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.17 103.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -59.96 106.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.92 -163.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -96.28 -28.68 14.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.24 52.54 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.586 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -118.06 138.42 52.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.3 p -101.46 145.91 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.032 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.489 ' CD2' ' HB ' ' A' ' 61' ' ' ILE . 5.3 mp -57.75 -38.16 74.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.2 t -55.4 -29.33 58.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.757 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -90.12 -40.32 12.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.681 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -12.44 60.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.218 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 72.73 39.96 0.64 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.778 0.323 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.489 ' HB ' ' CD2' ' A' ' 56' ' ' LEU . 38.9 mt -93.68 100.4 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.5 -176.95 1.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.75 149.49 43.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 54.15 24.73 5.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -72.34 150.27 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.727 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.83 101.78 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.045 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.5 mt -95.72 117.45 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.698 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -67.09 137.45 56.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.1 tt -123.38 138.31 54.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 t -117.69 95.01 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.38 118.24 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.57 79.38 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -95.84 130.85 42.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 mmm-85 -142.81 80.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.59 53.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.544 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 23.4 m -67.03 -29.54 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -58.54 -34.67 71.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -69.24 -30.79 69.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -30.17 26.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -59.28 -33.35 70.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.1 -52.75 62.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.659 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -31.65 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -59.39 -24.88 63.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.651 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.41 ' CD1' ' HG2' ' B' ' 35' ' ' GLU . 1.9 t90 -93.07 16.97 11.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.272 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -68.18 0.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.5 m -99.7 22.1 11.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.39 -31.46 22.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.41 ' HG2' ' CD1' ' B' ' 31' ' ' TRP . 4.8 mm-40 -66.73 -31.75 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.94 -34.89 64.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -63.41 177.72 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.7 -30.5 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 10.2 mtp 60.54 74.27 0.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.598 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ttt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.846 0.355 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.56 103.48 15.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.76 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.9 pt -97.09 165.53 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CE1' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -113.57 107.83 16.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 111.099 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.451 HG22 HD13 ' A' ' 30' ' ' ILE . 23.2 t -82.22 106.46 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.969 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -95.83 125.0 40.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -88.83 -177.48 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.03 -54.76 42.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.1 p -56.43 -27.6 57.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.73 29.2 2.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.82 101.73 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.14 107.71 19.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.479 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 42.0 mm -111.0 139.49 34.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.017 0.437 . . . . 0.0 111.981 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.481 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.3 110.79 11.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.11 179.394 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.96 124.15 41.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.863 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -81.71 123.69 28.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.158 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -148.63 122.84 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.894 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.6 142.84 94.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.49 -29.89 61.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.496 2.131 . . . . 0.0 112.261 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.3 m -78.86 -30.83 45.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -58.78 139.79 55.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.7 p -81.49 173.94 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -59.52 -37.63 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.034 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -57.58 -41.44 81.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 15.3 t-20 -66.0 -30.93 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.17 0.51 . . . . 0.0 110.402 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -76.22 -57.01 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.665 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -56.96 -24.26 51.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -63.68 -59.73 4.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.732 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -61.76 -44.03 97.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.824 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.451 HD13 HG22 ' A' ' 5' ' ' VAL . 80.9 mt -61.88 -26.49 40.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.376 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.24 -39.73 53.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.61 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -83.57 -12.06 56.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.308 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -99.4 -28.96 13.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.603 0.239 . . . . 0.0 111.307 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -119.63 -35.87 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.428 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.83 28.46 6.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.255 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mt -107.45 107.13 59.98 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.587 0.232 . . . . 0.0 111.145 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.45 148.1 27.52 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.449 2.099 . . . . 0.0 112.265 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.57 -32.83 84.56 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.545 2.163 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.55 31.25 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.066 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -120.53 -37.37 3.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -112.71 176.5 4.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.39 113.86 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.618 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tp -90.61 148.99 22.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.401 ' CD1' ' CG2' ' A' ' 70' ' ' VAL . 4.0 mp -143.71 148.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.971 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -166.06 139.83 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.55 40.98 29.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.65 25.98 61.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 16.8 mttp -127.98 130.3 48.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.777 0.323 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -76.75 112.29 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mp -72.04 77.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.771 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.99 157.09 23.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -60.17 143.7 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.3 3.28 72.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -106.91 147.38 29.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 p -91.12 152.84 20.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.157 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 56' ' ' LEU . 2.9 mt -66.26 -46.72 76.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.226 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -26.66 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -70.49 -31.21 68.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.674 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 36.0 m-85 -94.37 -16.0 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.22 68.8 0.39 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.923 0.392 . . . . 0.0 110.817 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -107.75 104.43 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -72.41 -177.77 2.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 146.67 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 55.81 24.38 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -69.73 140.23 53.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.752 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.24 100.26 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.987 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.5 mt -91.22 118.01 30.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -69.76 113.31 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.413 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.7 tt -95.48 142.09 28.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.401 ' CG2' ' CD1' ' A' ' 44' ' ' ILE . 27.7 t -126.81 97.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.413 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -77.9 116.68 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.27 159.92 11.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.6 149.66 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -147.49 123.47 10.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.8 -96.65 1.98 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.545 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 16.2 p -107.43 31.07 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.422 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 2.7 pt20 -78.9 -46.75 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.85 -20.41 65.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -54.04 -44.86 71.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' B' ' 24' ' ' GLN . 15.4 p90 -90.03 -29.21 18.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.047 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -58.19 -29.14 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -52.9 -28.39 23.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -58.35 -30.41 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.415 ' CZ3' HD12 ' A' ' 44' ' ' ILE . 1.2 t-105 -94.84 -29.55 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -58.1 -31.26 66.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 2.5 p -84.94 -31.19 23.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.7 -35.24 74.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -87.49 -31.34 20.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.93 91.48 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -126.44 165.71 18.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -98.28 34.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 6.2 mtt 60.13 34.34 21.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.36 -1.244 . . . . 0.0 112.474 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.77 0.319 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.14 96.55 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -88.59 165.75 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.773 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -121.23 115.7 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.039 0.447 . . . . 0.0 111.286 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.7 t -91.21 104.7 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.657 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -93.2 132.51 37.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.3 p -94.13 157.37 16.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -28.43 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.1 -29.7 58.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.533 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.88 54.57 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.81 102.14 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.56 110.1 22.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.267 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.507 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 39.8 mm -111.47 141.05 28.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.494 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.61 110.86 11.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.186 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.8 126.68 46.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.605 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.77 129.76 35.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.367 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 m -153.83 120.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.01 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.02 143.69 83.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.623 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.57 -27.73 15.11 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.44 2.093 . . . . 0.0 112.28 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -88.58 -21.38 24.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.958 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.62 115.59 2.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.91 164.13 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.405 HD12 ' CE2' ' A' ' 59' ' ' TYR . 44.9 mm -56.39 -40.88 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -41.92 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.407 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 16.7 t-20 -64.84 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.129 0.49 . . . . 0.0 110.663 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.401 HG21 ' HA ' ' A' ' 23' ' ' ILE . 2.4 t -75.94 -58.38 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.9 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -56.1 -25.42 45.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -62.61 -57.84 9.67 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.627 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -62.44 -39.07 92.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.853 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.71 -27.92 43.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.314 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -73.04 -50.86 20.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.618 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.36 -20.88 62.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.265 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -70.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.259 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.44 -24.14 60.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.507 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.49 27.07 23.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.233 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -118.23 113.35 37.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.597 0.237 . . . . 0.0 111.08 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.45 156.96 3.62 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.447 2.098 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.32 52.93 4.49 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.779 2.319 . . . . 0.0 112.431 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -162.56 -44.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.83 -24.23 56.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.994 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -121.28 136.43 54.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -100.01 108.89 21.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.711 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD12 ' HB3' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -88.72 126.01 35.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.415 HD12 ' CZ3' ' B' ' 31' ' ' TRP . 27.2 mt -124.53 149.04 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.453 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 87.3 t80 -153.32 132.78 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.18 41.16 29.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.39 25.22 66.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -136.15 115.27 12.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -59.87 121.83 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 59' ' ' TYR . 7.1 mp -60.36 86.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.745 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.91 143.43 45.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -61.73 115.51 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.63 24.02 4.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.564 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -121.62 146.71 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.1 p -103.63 148.38 26.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.487 ' CD2' ' HB ' ' A' ' 61' ' ' ILE . 5.3 mp -56.79 -31.23 64.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -29.16 64.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -90.01 -42.66 11.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 3.4 m-85 -72.2 -10.32 59.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.251 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t30 72.46 30.71 1.9 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.487 ' HB ' ' CD2' ' A' ' 56' ' ' LEU . 25.1 mt -85.39 100.72 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.877 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -85.34 -172.82 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.63 142.9 54.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 56.42 25.39 9.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -61.52 -178.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.44 99.42 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD2' ' CD1' ' A' ' 45' ' ' PHE . 17.1 mt -94.55 121.96 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.749 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -77.97 115.22 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.213 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 43' ' ' LEU . 8.6 tt -98.49 137.75 36.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.3 94.86 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.28 113.13 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -84.71 150.04 25.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.25 125.18 22.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtm-85 -60.27 164.72 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.06 117.05 0.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.505 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.786 0.326 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -58.86 -29.45 66.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.409 ' O ' ' CD1' ' B' ' 27' ' ' PHE . 7.1 tt0 -59.32 -48.89 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.951 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -90.06 -24.18 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.65 -17.82 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.404 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' B' ' 24' ' ' GLN . 3.3 p90 -50.85 -36.15 36.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.758 0.313 . . . . 0.0 111.229 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -59.77 -31.74 69.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.92 -31.01 64.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.762 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.422 ' CZ2' ' HG3' ' B' ' 34' ' ' GLU . 28.6 t90 -64.86 -44.36 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.705 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.1 -31.12 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -32.48 70.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.87 -30.89 11.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.422 ' HG3' ' CZ2' ' B' ' 30' ' ' TRP . 2.3 tm-20 -59.44 -31.96 69.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.48 -30.82 14.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.74 37.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -93.1 -67.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -99.84 32.0 3.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 5.7 ttm 60.43 90.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.484 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ttt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.803 0.335 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -109.97 95.04 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 pt -83.92 139.81 17.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.759 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.5 103.82 15.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.074 0.464 . . . . 0.0 111.245 -179.605 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.73 105.75 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.382 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -103.33 134.3 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.003 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 p -85.93 -162.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.26 67.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.2 p 53.31 81.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.05 -35.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.406 -0.902 . . . . 0.0 113.032 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -150.43 148.65 29.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 111.615 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -147.04 122.28 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.705 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 45.7 mm -123.58 142.86 38.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.862 0.689 . . . . 0.0 112.862 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.44 ' OG1' ' CZ ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -79.68 110.88 15.44 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.742 178.695 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.49 132.15 54.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.013 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.66 129.31 35.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.102 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.7 m -154.64 122.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.013 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.32 145.48 67.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.91 -28.18 30.51 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.48 2.12 . . . . 0.0 112.262 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -102.56 30.08 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -100.59 118.59 37.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -59.47 160.76 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.743 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 mm -57.54 -36.94 55.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.182 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -41.56 90.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.417 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 33.5 t-20 -66.69 -31.11 71.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.231 0.539 . . . . 0.0 110.313 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -75.39 -56.5 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.611 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -56.79 -25.33 55.28 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -62.42 -58.77 6.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.714 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -60.73 -42.54 97.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.006 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.1 mt -62.42 -29.36 46.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.203 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.74 -40.28 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.476 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -81.82 -14.12 56.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.331 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -97.91 -40.98 8.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -103.52 -29.8 10.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.9 26.21 11.92 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.32 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -117.78 127.63 26.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.63 0.252 . . . . 0.0 111.112 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.82 145.51 32.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.421 2.081 . . . . 0.0 112.187 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.77 -27.13 76.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.573 2.182 . . . . 0.0 112.432 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.62 -28.87 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.304 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -86.16 -47.34 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.132 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -99.84 138.66 36.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.57 160.42 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tp -121.43 147.56 45.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 mt -150.17 145.12 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -161.04 139.72 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.975 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.18 40.07 28.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.34 25.12 62.25 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -126.73 123.56 37.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.89 108.78 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.0 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 6.7 mp -66.28 77.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.705 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.5 160.24 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -69.94 66.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.52 41.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -133.25 137.21 45.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -97.44 143.62 27.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.516 ' CD2' ' HB ' ' A' ' 61' ' ' ILE . 5.4 mp -55.39 -30.71 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -30.71 66.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.64 -43.98 12.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 5.5 m-85 -76.22 -6.61 52.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 63.42 41.72 7.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.77 0.319 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.516 ' HB ' ' CD2' ' A' ' 56' ' ' LEU . 43.6 mt -86.18 99.96 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.933 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -75.15 -176.41 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.149 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -70.75 152.02 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 51.77 26.22 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.11 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -77.14 147.77 36.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.699 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.45 102.36 15.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.931 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt -94.44 118.52 31.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.53 131.82 50.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.955 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.8 tt -120.59 145.79 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.6 t -127.1 94.93 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.427 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 11.0 mt -74.17 104.64 5.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -93.56 102.33 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 tp -90.92 107.36 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -59.91 155.89 15.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.04 -78.43 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.548 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.51 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.874 0.369 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.25 -31.42 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -81.22 -39.18 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.79 -20.45 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.464 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -46.73 -25.77 0.8 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.756 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' B' ' 28' ' ' LEU . 7.9 p90 -46.57 -29.29 1.74 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.759 0.314 . . . . 0.0 111.36 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 4.1 pp -57.55 -29.28 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.061 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -27.64 62.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.4 ' CE3' ' HA ' ' B' ' 27' ' ' PHE . 24.9 m-90 -90.07 13.53 14.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.388 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.41 ' CD1' ' HG2' ' B' ' 35' ' ' GLU . 0.6 OUTLIER -94.6 16.91 14.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.657 0.265 . . . . 0.0 111.242 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -73.79 -68.88 0.47 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.834 0.35 . . . . 0.0 111.026 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 18.1 m -100.07 22.08 11.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.275 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.02 -41.53 11.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.41 ' HG2' ' CD1' ' B' ' 31' ' ' TRP . 2.2 mm-40 -60.17 -30.98 69.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.7 -31.73 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 60.56 36.03 19.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -107.88 -35.64 6.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -82.3 -50.08 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.499 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.818 0.342 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -96.3 96.44 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.6 pt -90.8 169.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.484 ' CE1' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -121.04 105.86 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 0.0 111.13 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 t -83.85 111.2 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.921 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -97.68 127.02 43.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 p -87.36 -176.07 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.23 -56.67 19.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.6 p -55.9 -26.77 48.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.26 28.14 3.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 100.64 12.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.65 108.87 21.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.442 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.478 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 41.9 mm -112.0 141.84 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.992 0.425 . . . . 0.0 112.088 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.484 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.16 110.79 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.069 179.463 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.6 129.77 47.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -85.55 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.168 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 m -154.04 119.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.976 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.56 145.84 67.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 29.7 Cg_endo -63.79 -27.88 67.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.427 2.085 . . . . 0.0 112.328 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 p -97.72 37.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -122.99 141.76 51.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.3 p -68.44 171.02 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HA ' HG21 ' A' ' 26' ' ' VAL . 39.0 mm -66.89 -31.05 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -58.36 -40.98 83.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.407 ' C ' ' HB3' ' A' ' 28' ' ' ALA . 27.4 t-20 -64.01 -30.89 71.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.159 0.504 . . . . 0.0 110.583 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG21 ' HA ' ' A' ' 23' ' ' ILE . 2.7 t -76.58 -57.92 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.98 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 5.2 mmtp -56.56 -23.6 41.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' HB3' ' C ' ' A' ' 25' ' ' ASN . . . -64.57 -62.37 1.63 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.911 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -59.86 -42.98 94.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.067 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -63.1 -29.91 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.307 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -71.6 -39.32 70.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.318 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.03 -14.7 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.245 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -97.19 -27.52 14.51 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.348 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.64 -39.02 2.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.377 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.28 28.9 5.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.388 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -111.86 108.53 55.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.544 0.212 . . . . 0.0 111.197 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.88 152.97 9.18 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.426 2.084 . . . . 0.0 112.363 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.55 -63.56 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.558 2.172 . . . . 0.0 112.643 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.27 -22.0 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.468 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -39.16 75.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.303 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -115.28 163.23 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 111.245 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 -140.41 124.68 17.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HB2' ' CE ' ' A' ' 27' ' ' LYS . 4.0 tp -84.47 152.64 23.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 0.0 110.979 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mt -149.34 135.53 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.97 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -136.07 115.06 12.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.7 30.67 17.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.4 -29.44 10.24 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -61.92 113.86 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.17 101.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.09 71.14 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.82 165.42 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.016 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -61.52 113.85 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.44 13.18 9.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.673 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -109.79 137.38 47.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 110.752 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.07 165.56 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 56' ' ' LEU . 2.9 mt -87.31 -61.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.234 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -25.63 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.128 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -61.75 -30.78 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.766 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -104.55 18.77 21.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 t30 55.83 76.45 0.28 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.839 0.352 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -119.63 103.29 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -84.41 -169.68 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -78.61 149.02 33.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 55.4 26.77 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -70.23 175.53 4.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.746 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.68 101.51 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.4 mt -99.91 117.96 35.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -71.19 140.88 50.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.432 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -120.08 144.77 47.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.6 t -125.91 98.44 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.432 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 11.8 mt -78.09 115.04 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -62.51 142.02 58.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 tt -81.68 119.13 23.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -123.8 153.54 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.81 -29.07 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.574 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.777 0.322 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -98.7 30.05 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.418 ' O ' ' CD1' ' B' ' 27' ' ' PHE . 6.3 mt-30 -90.11 -25.81 20.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.02 -28.71 18.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.282 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 p30 -65.07 -17.95 64.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.409 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.418 ' CD1' ' O ' ' B' ' 24' ' ' GLN . 0.2 OUTLIER -55.19 -24.99 29.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.737 0.303 . . . . 0.0 111.207 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.446 HD11 ' N ' ' B' ' 28' ' ' LEU . 0.0 OUTLIER -57.75 -26.43 61.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.129 -179.839 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.442 ' N ' ' CD1' ' B' ' 28' ' ' LEU . 6.8 mttm -57.99 -21.82 46.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -67.42 -14.09 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.283 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -92.48 16.89 10.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.359 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -48.11 35.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 79.0 p -84.81 -29.83 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.43 -32.2 68.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -84.43 -31.65 24.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.96 77.62 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -101.3 168.2 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -127.63 -45.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 33.8 mtp -90.4 76.82 6.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.445 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.34 94.43 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.697 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 pt -96.61 150.39 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -99.97 117.25 33.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.006 0.432 . . . . 0.0 111.156 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 30' ' ' ILE . 26.4 t -93.82 107.81 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -93.92 124.96 38.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -87.33 173.18 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.44 -48.5 80.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -59.37 -29.1 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.14 45.48 0.68 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -112.87 102.54 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.49 106.67 18.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.342 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 47.0 mm -110.54 140.34 30.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 112.088 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.15 110.88 11.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.14 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.09 121.4 31.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.696 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -85.28 120.88 27.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.013 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 m -142.4 129.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.162 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.9 154.68 80.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.807 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.97 -50.72 2.0 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.41 2.074 . . . . 0.0 112.375 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 p -60.28 -29.77 69.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.48 118.11 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 p -60.16 -177.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.401 ' HA ' HG23 ' A' ' 26' ' ' VAL . 43.8 mm -65.76 -37.13 79.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.4 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 1.6 tp10 -56.72 -42.51 79.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 10.9 t-20 -64.59 -33.21 75.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.255 0.55 . . . . 0.0 110.507 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 23' ' ' ILE . 3.3 t -72.81 -55.59 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.863 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -59.44 -21.74 60.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.434 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -63.43 -60.16 3.72 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.629 178.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -60.03 -44.22 94.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.021 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.459 HD13 HG21 ' A' ' 5' ' ' VAL . 81.3 mt -62.47 -27.96 43.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.423 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -73.99 -39.32 63.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.572 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -83.56 -13.51 54.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.272 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 -29.58 12.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.713 0.292 . . . . 0.0 111.265 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -116.04 -36.16 4.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.329 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.13 30.38 6.7 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.309 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mt -115.72 112.17 43.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.5 0.19 . . . . 0.0 111.094 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -52.12 150.26 19.5 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.456 2.104 . . . . 0.0 112.352 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.82 -38.91 90.99 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.58 2.186 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.24 -29.99 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.079 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.29 -28.82 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -128.94 156.48 43.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.382 . . . . 0.0 111.209 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.83 -176.6 3.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.537 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 67' ' ' LEU . 1.2 tp -154.85 138.08 15.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.926 0.393 . . . . 0.0 111.315 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 45' ' ' PHE . 7.2 mt -131.34 139.91 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD1' HD21 ' A' ' 67' ' ' LEU . 24.8 t80 -154.15 136.1 14.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.59 30.67 19.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.4 27.86 73.11 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -128.01 143.16 51.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -84.9 114.18 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 10.1 mp -73.78 86.8 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.44 156.13 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.44 71.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.95 43.16 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.403 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 3.0 mtt180 -138.18 140.8 39.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -77.71 154.81 31.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.017 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.63 -46.18 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 t -52.39 -25.97 11.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.54 -30.82 52.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.831 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 13.0 m-85 -91.81 8.75 35.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.365 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 58.64 35.08 24.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.724 0.297 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.415 HG12 ' CD2' ' A' ' 45' ' ' PHE . 32.6 mt -85.22 98.62 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -80.68 -166.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.759 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 143.6 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 57.01 26.83 12.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.5 m -69.8 -177.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.82 100.05 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' A' ' 45' ' ' PHE . 21.3 mt -92.98 118.94 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -76.94 105.63 8.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.267 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.441 HD22 HD22 ' A' ' 71' ' ' LEU . 6.0 tt -88.59 146.43 25.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.54 94.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.441 HD22 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -69.48 112.67 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -85.49 146.64 26.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.3 162.13 29.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 -95.82 179.68 5.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.44 -91.8 1.75 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.564 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.834 0.349 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -107.64 33.09 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.421 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 7.7 mp0 -67.59 -45.04 76.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -85.56 -21.18 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -53.52 -59.04 5.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' B' ' 28' ' ' LEU . 11.3 p90 -69.25 -29.17 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.981 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 28.8 tp -58.25 -27.56 64.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.04 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -54.37 -30.57 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -62.54 -39.07 92.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.709 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.412 ' CZ3' HD13 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -59.85 -30.51 69.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.961 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -59.42 -38.66 81.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -75.89 -31.57 59.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -94.23 16.23 15.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.266 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.81 83.12 6.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -151.45 118.57 5.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.86 -46.11 11.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 7.2 mtm -61.36 -36.26 79.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.303 -1.276 . . . . 0.0 112.496 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.813 0.339 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 86.83 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 pt -87.85 172.0 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -123.48 101.58 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 110.965 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.14 111.01 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -95.5 142.44 27.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.3 p -105.11 166.46 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -46.16 88.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.3 p -59.61 -29.46 68.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.28 47.99 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.85 109.83 15.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.14 116.83 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 41.0 mm -118.4 142.24 34.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.031 0.443 . . . . 0.0 112.034 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.479 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.27 110.82 11.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.137 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.39 127.01 44.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.23 130.15 34.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.042 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 m -148.74 121.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -59.5 137.08 89.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.0 -27.24 53.55 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.433 2.089 . . . . 0.0 112.31 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 m -98.26 41.18 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -129.81 133.55 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.6 p -63.61 169.48 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.416 ' HA ' HG22 ' A' ' 26' ' ' VAL . 43.5 mm -62.19 -30.96 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.07 -40.59 85.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' HB3' ' A' ' 28' ' ' ALA . 27.5 t-20 -64.22 -30.91 71.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.196 0.522 . . . . 0.0 110.689 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 23' ' ' ILE . 2.6 t -76.29 -58.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.88 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -55.82 -25.04 39.87 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB3' ' C ' ' A' ' 25' ' ' ASN . . . -63.28 -58.83 5.86 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.568 178.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -61.75 -42.3 98.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.803 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.5 -28.05 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.21 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -73.8 -41.69 62.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.483 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.49 -14.19 58.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.227 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.11 -44.47 7.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.757 0.313 . . . . 0.0 111.225 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.88 -33.08 9.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.379 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.68 26.16 7.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.332 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.6 mt -118.0 127.13 26.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.523 0.202 . . . . 0.0 111.228 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.68 148.43 41.76 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.427 2.085 . . . . 0.0 112.109 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.38 -21.6 30.35 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.519 2.146 . . . . 0.0 112.621 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -80.44 -30.2 37.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -81.75 -29.12 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -124.16 146.58 48.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.975 0.417 . . . . 0.0 111.116 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -118.34 179.79 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.478 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tp -140.71 147.87 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.046 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.412 HD13 ' CZ3' ' B' ' 31' ' ' TRP . 22.6 mt -148.41 144.51 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.004 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -163.17 139.44 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.001 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.14 39.71 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.08 25.62 62.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -123.64 140.68 52.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -81.77 112.94 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.0 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.93 70.04 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -60.9 160.65 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -70.56 65.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.23 40.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -140.6 141.6 35.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -75.77 173.2 11.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -89.99 -39.08 13.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.174 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 t -58.54 -29.94 66.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -70.71 -30.66 67.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -94.36 12.8 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.365 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 54.45 40.93 32.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.86 0.362 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.2 mt -88.65 127.46 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -112.12 -169.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.22 141.94 45.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 58.35 27.37 15.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.9 m -80.06 134.79 36.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.781 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.93 104.45 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.53 120.46 37.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' B' ' 24' ' ' GLN . 2.4 m-70 -66.18 137.04 56.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 71' ' ' LEU . 3.3 tt -121.28 151.97 39.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.13 94.81 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' CD2' HD22 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -82.28 107.01 14.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -68.44 139.06 55.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.0 tp -82.26 158.37 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -125.46 -44.56 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.1 -120.94 1.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.516 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.441 -1.2 . . . . 0.0 112.503 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.51 -29.6 14.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -59.48 -59.93 4.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -28.97 68.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.13 -29.38 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.486 ' CE1' ' CZ3' ' B' ' 30' ' ' TRP . 0.1 OUTLIER -56.44 -57.85 10.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 tp -49.5 -63.38 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.88 0.372 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -57.13 -21.9 35.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.486 ' CZ3' ' CE1' ' B' ' 27' ' ' PHE . 1.2 t90 -75.16 -59.04 2.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.433 ' HB3' ' CE3' ' B' ' 30' ' ' TRP . 0.3 OUTLIER -93.0 17.04 11.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.658 -179.645 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -39.92 88.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.782 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.2 p -93.51 -30.27 15.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.939 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -32.28 67.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -100.0 16.21 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.191 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.05 30.61 6.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -107.11 90.33 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.49 -34.14 14.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.57 -34.28 6.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.567 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 ttt . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.854 0.359 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -101.33 114.75 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.764 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.3 pt -96.62 171.51 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.42 106.45 11.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.962 0.41 . . . . 0.0 110.975 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 t -81.37 107.07 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -98.83 125.26 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -90.57 162.66 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -40.6 87.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.98 -31.65 71.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.42 63.93 0.35 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.97 104.0 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.68 109.13 20.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.367 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.491 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 43.7 mm -113.29 141.36 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.979 0.419 . . . . 0.0 112.073 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.483 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -76.59 110.82 11.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.092 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.57 123.77 38.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.773 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -81.91 131.1 35.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.194 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -151.47 124.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.962 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.15 146.69 60.1 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.89 -28.41 48.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.486 2.124 . . . . 0.0 112.175 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.86 31.35 4.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -98.95 118.05 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.9 p -59.21 162.86 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HA ' HG23 ' A' ' 26' ' ' VAL . 45.2 mm -58.52 -37.83 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -58.84 -41.77 87.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -66.36 -31.04 71.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.212 0.53 . . . . 0.0 110.403 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 23' ' ' ILE . 2.8 t -75.89 -55.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.728 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -58.18 -23.77 56.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -63.81 -60.52 3.18 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.862 178.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -59.94 -43.78 94.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.153 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.23 -30.39 48.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.242 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -71.43 -38.7 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.536 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -83.79 -14.01 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.295 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.83 -28.27 13.93 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.285 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -118.2 -37.82 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.402 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.75 28.92 6.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.347 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.1 mt -108.04 116.41 57.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.51 0.195 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.49 142.24 81.18 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.427 2.085 . . . . 0.0 112.282 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.42 -30.87 89.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.471 2.114 . . . . 0.0 112.491 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.08 23.3 6.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.272 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -120.35 -32.83 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -113.56 141.86 46.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.065 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -106.38 152.15 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.18 147.03 47.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.038 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.4 mt -149.3 142.73 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -158.25 141.54 15.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 37.93 29.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.2 26.8 68.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -126.36 145.34 50.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -83.94 109.44 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 4.7 mp -69.19 100.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.45 159.36 16.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.1 115.96 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.81 16.01 7.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.652 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.29 131.11 55.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.0 p -95.03 149.42 21.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.512 ' CD2' ' HB ' ' A' ' 61' ' ' ILE . 5.4 mp -57.89 -30.69 66.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.6 t -59.41 -29.89 68.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.783 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.89 -47.54 10.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.772 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 6.9 m-85 -73.3 -11.5 60.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.314 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 68.93 42.35 1.33 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.512 ' HB ' ' CD2' ' A' ' 56' ' ' LEU . 45.7 mt -86.39 99.91 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -71.41 -176.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -71.97 149.86 44.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 52.92 25.55 4.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 m -72.82 147.47 45.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.729 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.74 104.54 17.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.62 119.73 33.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -71.03 119.78 15.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.421 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.9 tt -110.31 152.64 25.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.416 HG23 ' CZ2' ' B' ' 31' ' ' TRP . 25.1 t -137.83 94.92 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.421 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 15.1 mt -72.69 124.8 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -93.09 47.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.77 150.47 29.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -149.11 89.24 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.74 121.21 0.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.514 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.82 0.343 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 6.4 t -98.87 33.1 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.414 ' O ' ' CE2' ' B' ' 27' ' ' PHE . 29.2 pt20 -71.97 -28.02 63.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -90.11 -20.18 23.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.565 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.26 -47.29 7.87 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.444 ' CE2' ' HG ' ' B' ' 28' ' ' LEU . 1.8 p90 -41.92 -43.6 3.14 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.444 ' HG ' ' CE2' ' B' ' 27' ' ' PHE . 0.5 OUTLIER -52.58 -34.49 50.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 -179.778 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -53.18 -24.51 11.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.661 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 -83.99 -38.27 21.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.412 ' CD1' ' HB2' ' B' ' 35' ' ' GLU . 1.3 t-105 -58.96 -26.38 64.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -55.82 -46.93 77.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 73.7 p -100.04 -32.63 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.63 -44.05 93.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.412 ' HB2' ' CD1' ' B' ' 31' ' ' TRP . 4.3 tp10 -76.79 -30.5 56.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.15 90.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 59.91 88.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -129.13 -45.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 7.6 ttp -89.81 -38.21 13.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.465 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.78 0.324 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.01 85.93 4.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt -91.84 145.02 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -97.48 110.21 22.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.98 0.419 . . . . 0.0 111.193 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.4 t -85.57 110.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.789 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -97.84 134.75 40.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -101.06 163.05 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 8' ' ' LEU . 1.4 tm? -59.62 -42.51 92.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.6 p -59.35 -29.77 67.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.81 64.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 112.22 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.34 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.05 115.14 29.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.46 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 42.7 mm -117.31 140.96 38.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.936 0.398 . . . . 0.0 112.02 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.472 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.99 110.89 10.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.108 179.392 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.05 127.51 45.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.758 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -86.02 130.13 34.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.041 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 m -151.58 119.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.81 138.77 90.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.81 -26.26 47.03 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.437 2.091 . . . . 0.0 112.283 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.58 39.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -129.31 128.18 42.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 p -59.81 174.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -66.67 -31.47 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.86 -40.03 87.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' C ' ' HB3' ' A' ' 28' ' ' ALA . 27.1 t-20 -65.48 -31.4 72.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.195 0.521 . . . . 0.0 110.478 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.44 -56.73 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.752 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -57.33 -23.73 50.58 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB3' ' C ' ' A' ' 25' ' ' ASN . . . -64.2 -60.97 2.57 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.721 178.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -60.52 -42.24 96.03 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.086 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.0 mt -63.58 -28.53 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.284 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.8 -38.44 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.549 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.07 -14.25 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.192 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -97.2 -28.71 13.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.662 0.268 . . . . 0.0 111.287 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.85 -37.35 3.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.427 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.32 29.63 5.95 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.243 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.5 mt -113.2 111.54 50.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.492 0.187 . . . . 0.0 111.198 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.58 152.51 12.39 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.375 2.05 . . . . 0.0 112.364 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.81 -48.79 19.35 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.623 2.215 . . . . 0.0 112.487 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.2 -29.51 61.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -58.98 -30.92 68.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.086 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -128.36 168.15 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.171 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 -133.55 166.05 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.678 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tp -132.72 146.78 52.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -142.0 149.11 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.967 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.416 ' CD1' HD21 ' A' ' 67' ' ' LEU . 5.6 t80 -161.72 129.89 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.43 40.01 29.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.74 24.31 69.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.539 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -121.1 124.52 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.354 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.54 102.83 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.98 79.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.78 158.25 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -63.63 113.52 3.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.14 21.2 6.0 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.571 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -116.47 134.03 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 p -72.45 171.58 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.4 mt -89.96 -36.7 14.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -57.91 -29.45 65.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -63.63 -31.18 72.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -101.78 9.67 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.36 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 m120 55.68 43.36 28.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.349 . . . . 0.0 111.029 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.419 HD13 HG22 ' A' ' 61' ' ' ILE . 26.5 mt -78.7 114.49 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.191 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -168.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.83 148.73 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 55.51 26.01 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.9 m -75.22 -175.59 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.761 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.98 99.47 6.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 45' ' ' PHE . 12.2 mt -92.04 119.08 31.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.414 ' CG ' HD23 ' B' ' 28' ' ' LEU . 25.6 m80 -66.4 138.46 57.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.6 tt -127.47 148.8 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.02 98.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.427 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 19.2 mt -80.76 116.83 20.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -75.27 97.85 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 tt -141.04 137.9 33.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.76 -169.94 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.82 -39.58 2.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.472 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 p30 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.349 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 62.5 p -77.27 -32.96 55.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.419 ' HA ' ' CZ ' ' B' ' 27' ' ' PHE . 18.5 pt20 -84.09 -46.78 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.71 -25.14 64.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.93 -69.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.096 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 28' ' ' LEU . 10.8 p90 -72.49 -29.77 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.047 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 25.6 tp -59.91 -28.81 67.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -55.59 -29.91 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.417 ' CH2' ' HG3' ' B' ' 34' ' ' GLU . 10.2 t90 -78.33 -31.38 48.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.417 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -69.4 -46.93 65.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.913 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -59.64 -31.01 69.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 57.6 p -76.9 -36.25 56.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.417 ' HG3' ' CH2' ' B' ' 30' ' ' TRP . 0.6 OUTLIER -59.34 -34.63 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -77.49 -29.5 52.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.23 -54.37 47.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 60.4 175.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -163.92 31.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.1 ptp -176.83 71.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.47 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.841 0.353 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -81.42 85.43 6.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 pt -86.78 142.69 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE1' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -93.49 108.37 20.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.969 0.414 . . . . 0.0 111.202 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 t -83.73 105.17 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.822 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -93.51 129.47 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -93.38 166.87 12.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 -46.5 88.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.7 p -60.31 -30.19 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.11 55.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.85 101.53 6.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.35 106.64 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.514 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.454 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 45.9 mm -112.43 138.6 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 112.016 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.461 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -74.57 110.86 9.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.056 179.284 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.43 126.78 45.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.837 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -84.95 130.65 34.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.937 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.32 120.89 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.04 141.43 90.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.19 -34.73 88.99 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.411 2.074 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -32.47 63.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -59.44 136.88 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.1 p -78.57 -175.59 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mm -65.19 -35.46 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -57.67 -41.37 81.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 2.7 t30 -65.02 -30.89 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.123 0.487 . . . . 0.0 110.41 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -77.29 -56.66 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.856 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -56.44 -24.76 47.46 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -64.25 -61.35 2.3 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.951 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -60.32 -43.39 96.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.044 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.68 -29.23 46.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.333 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -39.83 67.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.56 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.75 -13.15 54.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.259 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 -28.67 13.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.25 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -118.67 -37.29 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.392 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.24 31.08 5.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.242 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.4 mt -117.15 107.08 46.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.546 0.212 . . . . 0.0 111.197 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -51.03 154.73 6.94 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.442 2.095 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.26 -62.9 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 112.482 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -59.65 -28.71 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -60.26 -37.09 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.191 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -120.65 174.8 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 111.187 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.52 164.49 27.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.684 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tp -136.79 143.52 43.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.123 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -140.85 142.0 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.416 ' CD1' HD23 ' A' ' 67' ' ' LEU . 33.4 t80 -159.32 137.66 10.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.95 39.08 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.22 26.61 64.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.498 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -125.79 146.2 49.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -83.98 118.29 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD13 ' CG ' ' A' ' 59' ' ' TYR . 6.5 mp -83.61 75.68 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.38 159.28 31.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -70.48 66.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.58 40.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -143.15 142.69 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -76.02 175.18 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.3 mt -89.93 -38.03 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.194 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.5 t -57.5 -30.1 64.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -71.87 -30.77 65.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CG ' HD13 ' A' ' 50' ' ' LEU . 30.4 m-85 -93.3 4.12 54.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.438 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.3 m120 59.12 41.84 19.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.815 0.34 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.415 HG12 ' CD2' ' A' ' 45' ' ' PHE . 25.1 mt -87.01 118.61 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -102.25 -177.79 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.89 143.37 55.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 58.23 26.65 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.9 m -72.95 150.52 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.06 101.44 13.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.416 HD23 ' CD1' ' A' ' 45' ' ' PHE . 15.1 mt -92.55 121.3 33.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.673 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -75.09 113.11 12.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.6 tt -100.03 149.03 23.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' B' ' 31' ' ' TRP . 22.0 t -134.38 97.55 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 12.9 mt -74.91 116.81 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -79.01 92.64 4.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.62 131.65 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.84 -56.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 149.61 -173.46 29.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.52 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.905 0.383 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -109.97 -42.84 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -59.81 -48.03 83.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.66 -20.46 65.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -53.95 -63.49 1.13 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.179 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -61.74 -27.02 68.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.126 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 tp -57.5 -31.64 66.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.045 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -30.97 63.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.794 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.417 ' CH2' ' HG3' ' B' ' 34' ' ' GLU . 30.2 t90 -62.96 -26.85 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.738 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.422 ' CZ2' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -93.13 16.98 11.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.294 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -89.18 -41.17 12.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -100.07 -28.03 13.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.417 ' HG3' ' CH2' ' B' ' 30' ' ' TRP . 1.1 tm-20 -56.44 -29.38 61.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.77 -29.71 66.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.91 67.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.9 119.33 7.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -91.6 -62.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.6 -67.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.504 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.91 0.386 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.43 87.47 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.781 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.0 pt -92.12 144.7 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.797 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -96.34 108.63 21.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.046 0.451 . . . . 0.0 111.229 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -85.25 112.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.764 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -94.5 140.41 29.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.6 p -104.23 168.75 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -48.14 82.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -29.46 66.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.5 46.26 0.63 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.549 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 112.19 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.97 115.95 31.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.559 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 44.2 mm -118.38 142.37 33.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 112.087 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.454 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.71 110.92 11.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.356 179.372 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.78 116.43 20.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.542 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -89.52 123.63 33.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.113 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -141.38 133.5 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.005 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.74 143.63 98.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.97 -47.5 20.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.376 2.05 . . . . 0.0 112.25 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -58.63 -34.44 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.002 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.65 123.55 16.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.8 p -59.12 178.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.437 HD11 HG21 ' A' ' 23' ' ' ILE . 42.0 mm -64.44 -36.14 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 17.7 tt0 -58.62 -40.48 83.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 14.9 t-20 -64.44 -33.93 77.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.23 0.538 . . . . 0.0 110.591 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t -71.44 -57.48 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.997 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.99 -22.2 60.15 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -61.9 -59.48 5.06 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.655 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -60.05 -41.71 92.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.984 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.02 -25.45 38.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.563 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.89 -39.1 44.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.634 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.49 -15.07 53.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.59 -32.43 12.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.703 0.287 . . . . 0.0 111.432 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.23 -36.65 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.509 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.19 29.15 6.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.384 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.0 mt -115.48 110.96 44.39 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.555 0.217 . . . . 0.0 111.169 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.57 146.36 34.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.415 2.077 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.21 -35.09 95.0 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.451 2.101 . . . . 0.0 112.401 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -80.78 -31.24 35.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.04 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -29.14 68.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -126.41 138.16 53.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' CD ' ' CZ2' ' B' ' 31' ' ' TRP . 28.6 mtt85 -99.32 168.44 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.672 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -139.47 124.72 18.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.52 142.65 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.426 ' CD1' HD21 ' A' ' 67' ' ' LEU . 59.2 t80 -149.76 126.06 10.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.03 31.29 19.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.84 26.0 70.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -122.77 139.71 53.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -85.15 108.55 17.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.431 HD22 ' HG ' ' A' ' 43' ' ' LEU . 8.6 mp -64.53 81.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.6 145.2 40.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.89 74.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.36 43.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -140.8 142.18 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.804 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -80.61 146.91 30.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.22 -30.33 66.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -58.09 -30.63 66.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.23 -41.48 76.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.725 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CE2' HD12 ' A' ' 23' ' ' ILE . 47.5 m-85 -85.7 -14.42 45.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 m120 66.61 54.32 0.86 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' A' ' 45' ' ' PHE . 22.3 mt -91.84 97.24 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -60.15 -169.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.98 147.54 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 58.18 24.24 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.68 -170.2 1.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.534 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -125.05 98.65 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' HB3' HD12 ' A' ' 43' ' ' LEU . 6.7 mt -82.95 138.33 33.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.575 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -89.24 103.34 15.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.335 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.0 tt -90.19 153.57 20.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.801 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.87 94.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.437 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 50.1 mt -73.96 113.28 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 150.42 39.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.0 tp -76.01 111.21 11.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -40.58 3.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.72 31.6 4.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.52 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.83 0.348 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 30.5 p -106.13 -35.31 7.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -60.05 -32.41 70.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -81.89 -31.23 31.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.79 -35.58 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.06 -29.19 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 tp -61.84 -51.67 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.663 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -60.83 -32.1 71.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.601 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -59.87 -27.35 66.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.639 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -93.37 16.97 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.252 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 mmm-85 -71.11 -70.03 0.34 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -97.07 22.11 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.06 -38.43 36.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -84.28 -31.57 24.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 90.2 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -85.18 89.22 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.49 70.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 2.5 ttm 59.93 34.04 21.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.478 -179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -82.43 89.51 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.9 pt -88.29 172.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -122.36 101.42 7.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.0 111.081 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.3 t -77.36 112.09 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -100.0 135.5 41.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.998 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 p -99.06 172.79 7.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.32 -47.51 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -57.46 -28.7 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.78 69.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.425 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.83 110.08 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.994 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.13 114.73 28.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.542 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 41.5 mm -116.52 141.62 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.065 0.46 . . . . 0.0 111.984 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.81 110.83 10.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.289 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.0 126.2 42.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.756 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -85.2 130.9 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.144 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.8 m -148.13 119.87 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.037 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.94 141.73 89.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.36 -33.47 96.26 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.351 2.034 . . . . 0.0 112.245 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -92.91 47.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.993 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -132.65 148.2 52.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p -81.89 170.4 15.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mm -61.62 -32.52 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -58.92 -40.78 85.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.417 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -65.51 -30.96 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.194 0.521 . . . . 0.0 110.462 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.53 -56.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.77 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -57.15 -24.05 51.61 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB2' ' C ' ' A' ' 25' ' ' ASN . . . -63.91 -61.46 2.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.905 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -59.94 -43.59 94.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.07 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.04 -28.34 44.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.428 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -73.16 -39.58 65.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.507 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -82.92 -14.49 54.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.224 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.0 -27.98 14.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.376 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -119.08 -39.33 2.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.359 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.79 28.09 5.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.429 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.0 mt -110.37 108.82 58.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.556 0.217 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.94 149.06 21.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.541 2.161 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -57.92 -30.69 90.56 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.54 2.16 . . . . 0.0 112.417 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -95.7 23.88 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -118.24 -31.8 4.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -121.47 166.18 14.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.037 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -128.16 163.47 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.687 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 tp -132.6 144.56 50.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.067 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -140.71 146.36 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.422 ' CG ' HD21 ' A' ' 67' ' ' LEU . 5.5 t80 -160.33 133.38 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.08 33.12 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.95 21.79 78.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.628 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 142.22 47.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -85.15 101.36 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' A' ' 59' ' ' TYR . 6.0 mp -67.44 79.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.77 159.89 28.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.95 116.28 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.85 16.69 9.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.63 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -110.77 132.22 54.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 110.789 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.38 168.55 18.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.034 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 56' ' ' LEU . 1.3 mt -86.12 -41.43 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -57.2 -29.17 63.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.52 -31.07 70.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.42 ' CE2' HD12 ' A' ' 50' ' ' LEU . 40.1 m-85 -98.11 10.09 41.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.382 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 56.47 42.31 27.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.825 0.345 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.415 HG12 ' CD2' ' A' ' 45' ' ' PHE . 27.9 mt -82.65 128.48 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -112.17 -168.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -77.82 141.54 39.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 58.89 27.93 16.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.1 m -80.09 137.39 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.14 105.56 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.422 HD21 ' CG ' ' A' ' 45' ' ' PHE . 10.9 mt -97.55 120.77 38.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -68.14 137.39 54.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.8 tt -126.09 151.05 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.85 94.94 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.427 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 6.5 mt -77.61 120.89 23.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.72 -177.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.3 136.19 57.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -73.22 173.39 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.7 110.71 1.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.468 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.506 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.844 0.354 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.407 ' O ' ' CD2' ' B' ' 27' ' ' PHE . 9.1 t -109.98 33.17 4.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.419 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 3.5 pt20 -81.55 -35.07 30.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.98 -23.26 21.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -54.89 -70.1 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.083 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' B' ' 28' ' ' LEU . 15.0 p90 -60.02 -30.12 68.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 25.9 tp -58.8 -27.84 65.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -54.76 -30.86 57.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.449 ' CH2' ' CG ' ' B' ' 34' ' ' GLU . 40.2 t90 -65.54 -36.74 84.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.703 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.407 ' CZ2' HG12 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -60.21 -27.32 67.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -56.45 -30.71 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.56 -31.05 15.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.968 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.449 ' CG ' ' CH2' ' B' ' 30' ' ' TRP . 6.0 tm-20 -59.26 -36.31 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.98 -30.45 21.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.33 53.99 2.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -154.8 94.45 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -176.33 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 1.9 mpp? 60.84 59.71 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.487 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.863 0.363 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -84.55 84.13 7.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 pt -86.04 142.16 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -100.03 106.55 18.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.969 0.414 . . . . 0.0 111.148 -179.802 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.453 HG21 HD13 ' A' ' 30' ' ' ILE . 22.1 t -81.29 105.67 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -95.86 123.21 39.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.6 p -87.89 175.84 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.002 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -50.98 71.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -57.76 -28.11 63.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.48 41.51 0.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.99 100.15 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.51 106.35 17.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.512 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 44.9 mm -111.71 139.95 33.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.461 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.92 110.94 10.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.117 179.337 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.75 132.13 52.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.5 130.06 35.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.087 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -154.34 119.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.911 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -60.33 139.89 91.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.99 -27.21 62.79 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.414 2.076 . . . . 0.0 112.311 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.7 m -96.47 39.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -127.68 133.93 49.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.802 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.4 p -64.33 170.94 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HA ' HG22 ' A' ' 26' ' ' VAL . 40.6 mm -63.71 -31.13 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -58.7 -40.88 84.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.407 ' C ' ' HB1' ' A' ' 28' ' ' ALA . 28.4 t-20 -64.5 -31.05 72.1 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.12 0.486 . . . . 0.0 110.423 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 23' ' ' ILE . 2.6 t -76.9 -57.28 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.896 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -56.35 -24.26 42.88 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' HB1' ' C ' ' A' ' 25' ' ' ASN . . . -64.2 -61.84 1.99 Allowed 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.938 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -59.82 -43.01 94.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.045 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.453 HD13 HG21 ' A' ' 5' ' ' VAL . 81.9 mt -63.1 -29.05 46.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.335 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -72.72 -39.15 67.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.496 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -83.37 -14.55 52.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.29 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -98.52 -28.99 13.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.767 0.318 . . . . 0.0 111.374 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -116.87 -36.72 3.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.407 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.41 26.41 7.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.396 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.41 HD12 HG21 ' A' ' 36' ' ' ILE . 30.9 mt -110.9 103.96 55.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.567 0.222 . . . . 0.0 111.125 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.93 149.56 14.56 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.477 2.118 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.55 -28.96 76.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.582 2.188 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -97.04 27.27 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -123.08 -38.34 2.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -115.01 164.79 13.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.129 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -124.45 162.72 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.688 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -134.33 137.23 44.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.2 mt -136.29 137.79 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -153.59 131.82 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.3 43.28 26.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 24.55 58.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -120.24 140.61 50.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.796 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -84.07 107.26 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD12 ' CE1' ' A' ' 59' ' ' TYR . 6.0 mp -72.2 76.52 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.781 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -73.77 158.53 34.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.1 113.73 3.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.61 19.23 6.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.666 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -116.25 136.15 53.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -73.8 172.48 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' HA ' HD21 ' A' ' 56' ' ' LEU . 1.3 mt -89.98 -36.73 14.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -57.64 -30.19 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.61 -30.92 71.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.414 ' CE1' HD12 ' A' ' 50' ' ' LEU . 59.9 m-85 -98.77 2.74 47.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.414 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 58.78 51.2 7.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -88.29 103.93 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -83.25 -170.41 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 145.65 31.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 56.18 26.42 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.008 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 m -70.59 -175.97 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.767 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.1 104.79 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.999 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 mt -94.72 119.1 32.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -71.04 113.11 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.8 tt -100.91 144.27 30.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.407 HG12 ' CZ2' ' B' ' 31' ' ' TRP . 38.4 t -134.57 98.65 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.06 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 2.5 mm? -70.03 118.28 12.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.77 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -59.17 164.41 3.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.15 126.57 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 60.68 157.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.27 37.3 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.473 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.552 HG22 ' H ' ' A' ' 65' ' ' SER . 8.6 pt -97.51 171.35 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.634 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -119.97 107.43 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.049 0.452 . . . . 0.0 111.07 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.668 HG13 HD11 ' A' ' 43' ' ' LEU . 24.6 t -82.56 106.64 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.572 ' HB2' HG23 ' A' ' 12' ' ' THR . 19.7 tttt -95.91 128.6 42.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 69' ' ' LEU . 30.3 p -92.52 169.49 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -58.69 -46.33 87.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.6 p -59.62 -29.66 68.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.35 46.97 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.765 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -117.2 102.03 8.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.634 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -102.38 108.28 19.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.424 179.588 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.765 HD11 ' HE3' ' A' ' 11' ' ' LYS . 43.7 mm -112.06 141.44 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.015 0.436 . . . . 0.0 112.059 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.479 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.12 110.88 10.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.184 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.673 HD12 HG13 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -127.57 122.3 32.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.763 -179.486 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.57 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -82.82 130.72 35.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.024 -179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.048 HG11 HG13 ' A' ' 26' ' ' VAL . 4.5 m -152.82 128.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.189 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.39 147.67 98.18 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 17.9 Cg_endo -60.33 -40.79 55.49 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.421 2.081 . . . . 0.0 112.214 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -30.95 69.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.35 126.3 26.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.7 p -64.2 173.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.498 HD12 HD23 ' A' ' 50' ' ' LEU . 44.5 mm -62.63 -33.0 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 13.3 mt-10 -57.98 -40.91 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 18.6 t-20 -64.89 -30.9 71.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.148 0.499 . . . . 0.0 110.516 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.048 HG13 HG11 ' A' ' 17' ' ' VAL . 2.8 t -76.68 -57.51 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.844 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.754 ' HE3' HD13 ' A' ' 43' ' ' LEU . 11.9 mmtm -56.23 -24.55 43.01 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -63.79 -60.31 3.46 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.691 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -61.18 -43.18 99.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.915 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.532 HD11 HG21 ' A' ' 5' ' ' VAL . 79.2 mt -62.73 -26.58 41.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.316 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.26 -37.77 57.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.465 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -83.97 -13.67 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.327 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.79 -29.49 13.33 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.759 0.314 . . . . 0.0 111.284 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -117.27 -36.74 3.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.34 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.9 27.69 6.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.324 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.789 HD13 ' CD2' ' A' ' 71' ' ' LEU . 25.8 mt -107.97 112.52 61.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.515 0.198 . . . . 0.0 111.117 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 57.1 Cg_exo -51.99 146.82 28.17 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.421 2.081 . . . . 0.0 112.314 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 42.4 Cg_exo -56.66 -35.71 97.61 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.544 2.163 . . . . 0.0 112.443 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.75 23.17 6.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.2 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -116.64 -27.68 6.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.6 ' OE1' HD11 ' A' ' 69' ' ' LEU . 27.3 pt20 -121.84 131.19 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.074 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -102.51 127.26 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.611 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.881 ' CD2' HD13 ' A' ' 67' ' ' LEU . 1.1 tp -103.75 144.1 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 111.256 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.36 149.78 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.441 ' CD1' HD23 ' A' ' 67' ' ' LEU . 8.1 t80 -157.79 132.55 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.47 30.55 18.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.01 26.82 71.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -124.85 135.33 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -80.13 109.02 14.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.872 HD22 HD23 ' A' ' 43' ' ' LEU . 8.1 mp -66.25 101.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.86 152.7 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.38 -30.18 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.04 53.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -137.19 150.9 48.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 p -87.91 174.79 8.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.579 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.8 mt -89.97 -47.39 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.302 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.6 t -51.96 -26.04 9.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -31.07 71.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.758 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -100.78 11.03 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 58.53 43.74 18.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 45' ' ' PHE . 26.2 mt -84.14 104.82 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.434 ' O ' HG22 ' A' ' 3' ' ' ILE . 46.5 mt-30 -91.54 -168.67 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 144.76 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 56.23 25.4 9.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.02 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.552 ' H ' HG22 ' A' ' 3' ' ' ILE . 72.1 m -70.83 139.81 51.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.697 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.4 98.77 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.881 HD13 ' CD2' ' A' ' 43' ' ' LEU . 13.1 mt -91.12 120.1 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.592 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 14.4 m170 -71.26 128.48 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.929 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.6 HD11 ' OE1' ' A' ' 41' ' ' GLN . 2.6 tt -114.39 149.66 35.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.648 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.8 t -132.1 95.04 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.789 ' CD2' HD13 ' A' ' 36' ' ' ILE . 44.3 mt -70.78 114.94 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 ttm-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.616 ' HB3' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.823 0.344 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.43 HG12 HG22 ' A' ' 17' ' ' VAL . 5.8 pt -85.06 139.17 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.649 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -97.89 107.02 19.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.176 -179.701 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.602 HG21 HD11 ' A' ' 30' ' ' ILE . 22.5 t -83.47 109.03 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.896 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.65 ' HB2' HG23 ' A' ' 12' ' ' THR . 30.8 tttt -98.84 121.9 41.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -88.45 168.12 12.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -59.71 -49.41 77.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -55.98 -27.33 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.01 68.03 0.56 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.406 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.845 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -142.07 103.46 4.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -102.08 106.5 17.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.366 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.845 HD11 ' HE3' ' A' ' 11' ' ' LYS . 39.9 mm -111.75 140.13 32.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.616 HG22 ' HB3' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -76.52 110.78 11.35 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.046 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -122.52 127.73 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 -179.295 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.684 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -87.41 130.59 34.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.14 -179.535 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.013 HG11 HG13 ' A' ' 26' ' ' VAL . 4.4 m -152.84 123.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.89 145.68 88.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.679 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 27.0 Cg_endo -62.82 -26.48 74.79 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.506 2.137 . . . . 0.0 112.244 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.5 m -96.32 40.42 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -127.72 140.62 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 p -70.39 164.59 24.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -60.1 -33.05 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 5.4 tm-20 -59.1 -40.66 86.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 9.9 t-20 -64.87 -31.03 72.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.167 0.508 . . . . 0.0 110.582 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.013 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -75.49 -58.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.909 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.619 ' HE3' HD13 ' A' ' 43' ' ' LEU . 9.6 mmtm -56.58 -24.7 49.17 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -62.94 -57.72 9.79 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.541 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HB2' HD11 ' A' ' 15' ' ' LEU . 14.7 mttm -62.02 -40.25 95.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.813 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.602 HD11 HG21 ' A' ' 5' ' ' VAL . 73.0 mt -64.17 -27.58 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.306 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -73.73 -45.69 50.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.516 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -74.72 -19.11 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -90.62 -57.79 2.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.142 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -85.13 -33.42 22.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.41 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.47 26.49 7.67 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.253 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.752 HD13 ' CD2' ' A' ' 71' ' ' LEU . 41.8 mt -117.17 118.71 35.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.531 0.205 . . . . 0.0 111.18 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.24 153.7 26.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.433 2.089 . . . . 0.0 112.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.87 -24.89 17.28 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.601 2.201 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.33 29.15 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -128.01 -40.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.71 ' NE2' HD11 ' A' ' 69' ' ' LEU . 11.6 pt20 -106.87 130.89 54.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.096 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -99.37 121.46 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.572 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.95 HD23 HD22 ' A' ' 50' ' ' LEU . 1.2 tp -95.61 150.36 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.284 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -141.06 148.57 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.949 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -149.63 130.05 13.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 22.13 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.367 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.57 -24.52 25.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.691 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -77.35 136.45 38.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 110.982 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -76.89 121.98 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.95 HD22 HD23 ' A' ' 43' ' ' LEU . 3.9 mp -76.78 93.97 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.49 156.2 38.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -55.56 -29.18 58.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.93 62.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -140.94 142.71 34.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.4 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -84.48 175.51 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.4 mt -90.01 -57.85 2.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.315 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -51.94 -26.29 10.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.232 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -72.95 -31.02 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.817 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -93.06 8.79 38.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.305 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.0 m120 61.16 39.9 15.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.774 0.321 . . . . 0.0 111.171 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.9 mt -85.2 99.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.014 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -82.77 -175.27 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 146.13 34.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 56.36 25.17 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -70.55 -175.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.87 100.85 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.865 HD13 ' CD2' ' A' ' 43' ' ' LEU . 13.4 mt -93.31 121.99 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.651 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -75.68 125.39 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.027 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.71 HD11 ' NE2' ' A' ' 41' ' ' GLN . 4.5 tt -108.45 142.02 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.3 t -127.58 95.7 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.752 ' CD2' HD13 ' A' ' 36' ' ' ILE . 12.2 mt -70.49 106.01 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.71 0.29 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 17' ' ' VAL . 3.7 pt -96.09 150.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.587 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -106.64 112.47 25.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 0.0 111.139 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 30' ' ' ILE . 30.0 t -86.21 108.13 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.806 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.422 ' CB ' HG23 ' A' ' 12' ' ' THR . 10.0 tttm -96.13 128.69 43.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -90.19 -171.15 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.23 -58.01 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.016 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -56.27 -29.18 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.001 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.45 -3.64 9.5 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.801 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.779 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -56.74 111.33 0.98 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.916 0.389 . . . . 0.0 111.012 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -110.53 117.37 33.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.537 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.779 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.1 mm -115.52 140.62 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.097 0.475 . . . . 0.0 112.18 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.484 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.21 110.83 11.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.112 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -126.17 132.32 51.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.963 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.75 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -88.51 129.59 35.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.069 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 5.7 m -155.78 118.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.999 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.08 140.32 94.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.58 -27.98 62.88 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.474 2.116 . . . . 0.0 112.201 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.4 m -96.82 41.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.1 136.17 50.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -64.67 160.39 19.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.697 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 50' ' ' LEU . 42.6 mm -58.64 -29.54 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 14.4 tt0 -59.59 -41.04 89.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 17.7 t-20 -63.83 -30.84 71.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.138 0.494 . . . . 0.0 110.531 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 2.9 t -76.25 -58.1 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.976 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.834 ' HE2' HD13 ' A' ' 43' ' ' LEU . 26.9 mmtp -56.23 -24.36 41.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.85 -60.46 3.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.803 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HB2' HD11 ' A' ' 15' ' ' LEU . 16.7 mttm -60.68 -43.56 97.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.022 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 5' ' ' VAL . 69.6 mt -62.02 -30.04 47.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.184 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.3 tm0? -71.74 -39.52 70.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.513 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.63 -12.99 55.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.248 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.04 -29.69 12.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.644 0.259 . . . . 0.0 111.248 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -116.81 -36.45 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.42 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.43 28.61 7.05 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.311 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.729 HD13 HD22 ' A' ' 71' ' ' LEU . 36.0 mt -113.82 108.67 51.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.501 0.191 . . . . 0.0 111.132 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.97 153.66 8.41 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.392 2.061 . . . . 0.0 112.256 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.17 -63.35 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.522 2.148 . . . . 0.0 112.458 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -59.18 -21.28 59.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.382 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -71.92 -31.63 66.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.288 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.636 ' HB2' HD21 ' A' ' 69' ' ' LEU . 22.6 pt20 -128.16 135.04 49.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 111.234 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -96.56 175.17 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.715 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.834 HD13 ' HE2' ' A' ' 27' ' ' LYS . 5.7 tp -142.89 137.95 29.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.023 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.0 mt -138.59 141.09 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -152.26 130.81 12.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.55 38.0 29.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.187 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.43 26.1 70.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -122.32 141.02 51.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -80.42 117.43 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.597 HD23 HD23 ' A' ' 43' ' ' LEU . 4.3 mp -82.65 79.01 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.62 151.21 25.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -53.01 -29.45 29.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.09 61.1 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -146.93 145.13 29.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.746 0.308 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -83.21 178.69 7.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.609 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.4 mt -90.02 -40.64 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.224 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -57.25 -28.64 63.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.49 -30.04 70.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 71.2 m-85 -101.15 16.45 25.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 53.78 39.52 30.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.0 mt -78.16 117.2 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -103.24 -178.98 3.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.63 139.81 56.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 54.67 28.94 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -67.33 148.13 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.784 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.0 101.2 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 67' ' ' LEU . 15.6 mt -93.44 119.13 32.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.742 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.495 ' O ' HD12 ' A' ' 43' ' ' LEU . 54.4 m-70 -70.75 126.16 28.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 41' ' ' GLN . 3.4 tt -111.31 146.61 36.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' N ' HD23 ' A' ' 69' ' ' LEU . 25.3 t -127.11 94.97 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.038 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.729 HD22 HD13 ' A' ' 36' ' ' ILE . 36.7 mt -73.34 103.3 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.786 0.327 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.3 pt -103.74 176.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.63 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -125.84 112.85 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.106 0.479 . . . . 0.0 111.277 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.518 HG21 HD23 ' A' ' 15' ' ' LEU . 45.6 t -89.06 107.68 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.594 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.433 ' CB ' HG23 ' A' ' 12' ' ' THR . 1.6 ttpm? -89.81 142.42 27.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.3 p -104.96 163.89 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.804 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -57.78 -46.08 85.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.853 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -29.22 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.67 58.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.448 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.74 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -135.49 111.63 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 111.044 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.63 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -107.13 115.84 30.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.262 179.541 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.74 HD11 ' HE2' ' A' ' 11' ' ' LYS . 28.4 mm -114.11 142.35 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.473 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -71.3 115.6 10.64 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.562 178.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.674 HD11 ' HD2' ' A' ' 29' ' ' LYS . 5.5 tp -130.1 113.4 14.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.912 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' N ' HD12 ' A' ' 15' ' ' LEU . 17.5 tp10 -82.27 119.04 23.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.151 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.956 HG11 HG13 ' A' ' 26' ' ' VAL . 8.2 m -143.34 120.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.68 155.41 21.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.11 -26.9 83.41 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.55 2.167 . . . . 0.0 112.053 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -97.39 26.75 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.757 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -99.55 109.94 22.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.664 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -57.97 160.16 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.694 HD12 HD23 ' A' ' 50' ' ' LEU . 45.1 mm -55.95 -37.05 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 18.2 tt0 -59.91 -41.53 91.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.661 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 8.9 t-20 -66.93 -32.44 73.69 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.299 0.571 . . . . 0.0 110.477 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.956 HG13 HG11 ' A' ' 17' ' ' VAL . 2.5 t -74.75 -55.23 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.596 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.77 ' HE3' HD13 ' A' ' 43' ' ' LEU . 6.1 mmtm -57.84 -25.24 60.42 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 176.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -61.91 -57.74 10.61 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.72 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.674 ' HD2' HD11 ' A' ' 15' ' ' LEU . 21.5 mttm -60.2 -38.82 84.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.149 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.443 ' CG1' HD22 ' A' ' 15' ' ' LEU . 82.3 mt -66.23 -30.8 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.466 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -71.59 -40.58 69.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.806 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.2 -15.64 40.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.422 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CE ' HD13 ' A' ' 15' ' ' LEU . 8.2 mtmm -91.88 -35.2 14.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.686 0.279 . . . . 0.0 111.249 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.58 -27.89 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.338 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.65 30.96 7.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.358 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.758 HD13 HD22 ' A' ' 71' ' ' LEU . 26.9 mt -123.19 108.36 32.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.577 0.227 . . . . 0.0 111.2 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.46 152.96 11.15 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.558 2.172 . . . . 0.0 112.311 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.92 -54.77 4.52 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.579 2.186 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.73 -29.9 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -59.76 -54.34 47.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.559 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.3 pp0? -120.73 135.37 55.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -98.47 -177.42 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.674 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.943 HD23 HD22 ' A' ' 50' ' ' LEU . 1.4 tp -145.1 154.1 42.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.167 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.508 HD12 ' C ' ' A' ' 43' ' ' LEU . 3.8 mp -145.65 152.56 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 67' ' ' LEU . 13.0 t80 -161.68 137.21 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.3 35.16 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.69 26.64 72.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.508 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -128.22 125.17 38.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.59 110.25 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.943 HD22 HD23 ' A' ' 43' ' ' LEU . 6.4 mp -63.87 113.78 3.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -70.05 -166.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -106.34 30.26 6.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.81 32.17 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.453 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -109.7 144.93 37.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.8 147.3 27.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.836 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.5 mp -56.42 -33.38 65.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.035 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.5 t -57.4 -27.82 62.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.734 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.96 -41.62 11.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.786 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 3.0 m-85 -76.1 -11.27 59.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 m120 69.63 39.53 1.52 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.836 ' HB ' HD23 ' A' ' 56' ' ' LEU . 51.2 mt -87.14 99.51 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.804 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.65 -170.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.76 155.13 24.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 48.32 27.86 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.228 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 m -74.86 -178.86 3.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -121.77 99.9 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.885 HD13 ' CD2' ' A' ' 43' ' ' LEU . 12.2 mt -89.82 126.54 35.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.487 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.405 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 16.1 m80 -76.89 118.73 19.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.008 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' A' ' 43' ' ' LEU . 5.4 tt -103.97 135.24 45.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.708 ' HA ' HD12 ' A' ' 8' ' ' LEU . 39.7 t -116.58 100.12 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.758 HD22 HD13 ' A' ' 36' ' ' ILE . 2.0 mt -80.49 112.61 17.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.884 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.629 ' HG2' HG22 ' A' ' 14' ' ' THR . 2.8 tt0 . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.773 0.321 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 pt -103.83 173.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.627 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -119.53 110.38 16.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.149 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.556 HG13 HD11 ' A' ' 43' ' ' LEU . 43.8 t -86.27 106.42 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.48 ' HB2' HG23 ' A' ' 12' ' ' THR . 15.8 tttp -93.72 131.75 38.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -93.39 159.77 15.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -58.56 -33.12 69.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -71.27 -30.56 66.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.97 60.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.829 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -139.5 105.06 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.955 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.627 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -103.46 110.98 23.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.394 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.829 HD11 ' HE2' ' A' ' 11' ' ' LYS . 38.5 mm -113.49 142.74 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.998 0.428 . . . . 0.0 112.146 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.629 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -75.25 117.14 16.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.045 179.352 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.739 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -134.77 118.94 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.684 -179.503 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.535 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.6 tm-20 -80.4 124.23 28.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.158 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.926 HG11 HG13 ' A' ' 26' ' ' VAL . 8.3 m -141.59 120.3 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.014 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.88 143.63 87.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.471 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 32.8 Cg_endo -64.65 -29.66 60.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.491 2.127 . . . . 0.0 112.298 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 t -95.11 43.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.91 148.11 49.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.7 p -76.08 172.96 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.773 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.637 HG22 ' HG2' ' A' ' 27' ' ' LYS . 37.0 mm -66.38 -30.62 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.626 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 2.8 mt-10 -54.56 -43.79 72.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.576 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 28.6 t-20 -65.82 -30.84 71.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.076 0.465 . . . . 0.0 110.79 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.926 HG13 HG11 ' A' ' 17' ' ' VAL . 3.5 t -74.91 -59.31 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.053 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HG2' HG22 ' A' ' 23' ' ' ILE . 9.9 mmtp -56.9 -23.86 47.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -63.45 -57.76 9.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.825 178.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HB2' HD11 ' A' ' 15' ' ' LEU . 22.0 mttm -62.99 -42.55 99.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.016 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.533 HD11 HG21 ' A' ' 5' ' ' VAL . 71.4 mt -63.15 -28.1 44.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.325 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -71.12 -54.08 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.539 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.37 -21.43 65.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.66 -74.58 0.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.895 0.379 . . . . 0.0 111.15 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -69.97 -30.86 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.39 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.23 28.56 8.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.345 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.983 HD13 HD21 ' A' ' 71' ' ' LEU . 45.6 mt -122.9 114.52 29.62 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.49 0.186 . . . . 0.0 111.207 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HG2' ' CG ' ' A' ' 40' ' ' GLN . 34.3 Cg_endo -65.51 152.51 81.65 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.282 1.988 . . . . 0.0 112.188 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.8 Cg_exo -59.16 -26.19 80.82 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.643 2.229 . . . . 0.0 112.546 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.38 -1.63 50.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.654 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 8.6 mm100 -109.28 -26.63 9.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.688 0.28 . . . . 0.0 111.283 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.723 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.9 pt20 -127.97 164.61 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 111.223 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -132.35 171.14 14.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.622 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 69' ' ' LEU . 3.5 tp -137.71 149.53 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.469 ' CD1' HG23 ' A' ' 70' ' ' VAL . 4.1 mp -143.5 138.93 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -137.54 114.44 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.41 29.51 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.69 -26.3 20.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.567 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.46 136.07 56.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.354 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.41 112.65 21.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 23' ' ' ILE . 6.5 mp -86.58 74.64 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.37 169.23 18.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.59 64.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.52 36.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 5.1 mmp_? -137.29 140.05 41.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.788 0.328 . . . . 0.0 110.744 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.12 167.4 21.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.9 mt -88.14 -61.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -25.57 12.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.173 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -63.86 -31.37 72.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.8 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 20.5 m-85 -99.08 5.49 46.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.339 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 59.54 70.04 0.67 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.912 0.387 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -109.07 97.53 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -74.7 -168.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.19 151.06 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.97 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 53.91 26.79 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.7 m -71.22 137.27 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.726 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.1 101.26 12.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 HD23 ' A' ' 43' ' ' LEU . 15.1 mt -93.38 122.43 35.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.694 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.32 114.52 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 41' ' ' GLN . 5.0 tt -96.18 148.75 22.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.675 ' HA ' HD12 ' A' ' 8' ' ' LEU . 22.9 t -127.88 94.9 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.983 HD21 HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -72.25 103.97 3.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.762 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.727 0.299 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.606 HG12 HG22 ' A' ' 17' ' ' VAL . 5.7 pt -88.15 172.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.511 ' CD1' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.84 101.53 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 0.0 111.172 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.734 HG11 HD12 ' A' ' 69' ' ' LEU . 43.4 t -78.67 108.79 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.657 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HB2' HG23 ' A' ' 12' ' ' THR . 17.5 tttt -97.75 127.46 43.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.006 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.2 p -88.51 161.61 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 70' ' ' VAL . 1.3 mt -59.52 -39.74 84.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 p -61.09 -30.96 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.4 50.39 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.57 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.836 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -130.69 111.55 12.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.511 HG22 ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -109.27 120.22 41.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.466 179.771 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.836 HD11 ' HE2' ' A' ' 11' ' ' LYS . 43.2 mm -121.35 141.06 43.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.476 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.37 110.89 11.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.087 179.212 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.707 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -125.18 123.21 39.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.747 -179.369 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.599 ' N ' HD13 ' A' ' 15' ' ' LEU . 42.1 tp10 -79.54 121.85 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.126 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.993 HG11 HG13 ' A' ' 26' ' ' VAL . 18.0 m -140.34 118.88 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -68.1 145.57 97.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 32.5 Cg_exo -57.46 -46.14 29.54 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.455 2.103 . . . . 0.0 112.219 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -62.32 -35.41 78.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -58.68 146.98 34.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 26' ' ' VAL . 19.7 p -88.5 177.16 6.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.645 HD12 HD23 ' A' ' 50' ' ' LEU . 39.9 mm -60.96 -33.46 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.5 tt0 -58.46 -41.55 85.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.58 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 7.1 t-20 -64.56 -30.92 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.25 0.547 . . . . 0.0 110.349 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.993 HG13 HG11 ' A' ' 17' ' ' VAL . 3.4 t -76.41 -57.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.888 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HE2' HD13 ' A' ' 43' ' ' LEU . 27.4 mmtp -55.99 -24.95 41.92 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.8 -62.14 1.84 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.07 178.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.634 ' HZ3' ' HA ' ' A' ' 17' ' ' VAL . 16.2 mttt -60.69 -43.45 97.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.914 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 5' ' ' VAL . 82.8 mt -62.44 -27.23 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.377 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.88 -40.59 60.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.641 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -84.01 -11.94 56.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.411 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.16 -29.3 13.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.676 0.274 . . . . 0.0 111.178 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -118.62 -37.13 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.319 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.07 29.11 5.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.36 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.82 HD13 ' CD2' ' A' ' 71' ' ' LEU . 28.6 mt -111.66 105.73 56.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 0.0 111.043 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.19 148.41 18.36 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.492 2.128 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.7 -28.17 74.33 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.478 2.119 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.22 27.52 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.085 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.2 -41.15 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.675 ' OE1' HD11 ' A' ' 69' ' ' LEU . 24.0 pt20 -109.8 157.97 18.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.044 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -129.14 132.53 47.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.615 HD13 ' HE2' ' A' ' 27' ' ' LYS . 2.3 tp -99.24 145.13 27.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.3 mt -139.85 134.86 38.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.052 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -141.04 125.99 18.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.52 30.76 17.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.48 25.75 64.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -119.08 139.24 52.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -85.05 107.7 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD23 HD12 ' A' ' 23' ' ' ILE . 9.3 mp -73.35 76.96 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -59.59 151.69 23.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.15 -30.37 59.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.78 55.3 1.02 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -146.59 170.17 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.332 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 p -116.63 167.3 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.626 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.4 mt -77.21 -42.14 38.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.247 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -55.11 -27.89 48.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.22 -31.91 68.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 66.2 m-85 -95.74 -4.41 44.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.428 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 62.66 60.28 1.34 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.8 mt -99.62 135.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 3' ' ' ILE . 6.8 pt20 -115.61 -177.62 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 144.32 57.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 57.68 29.12 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 3' ' ' ILE . 4.9 m -74.94 127.16 32.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.76 100.97 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.547 HD13 ' CD2' ' A' ' 43' ' ' LEU . 13.7 mt -97.25 118.02 32.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -70.8 126.63 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.042 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.734 HD12 HG11 ' A' ' 5' ' ' VAL . 1.9 tt -105.68 151.98 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.558 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.4 t -136.83 95.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.046 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.82 ' CD2' HD13 ' A' ' 36' ' ' ILE . 15.7 mt -73.05 122.44 21.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.431 ' HB2' HG22 ' A' ' 14' ' ' THR . 14.9 pt20 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -93.71 168.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.648 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -120.18 108.0 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.038 0.447 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 69' ' ' LEU . 32.2 t -82.87 105.27 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.97 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.577 ' HB2' HG23 ' A' ' 12' ' ' THR . 5.4 ttpp -93.57 128.87 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.0 p -91.39 166.83 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -58.81 -47.26 85.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.3 p -60.65 -30.8 70.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.18 59.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.598 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.821 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -130.17 101.28 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.964 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.648 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -101.37 108.78 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.821 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.7 mm -111.55 140.68 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.048 0.451 . . . . 0.0 112.145 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.98 110.95 10.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.271 179.492 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD12 HG13 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -127.07 118.51 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.609 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.498 ' N ' HD13 ' A' ' 15' ' ' LEU . 6.2 tm-20 -83.72 131.52 34.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.184 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.972 HG11 HG13 ' A' ' 26' ' ' VAL . 3.9 m -150.91 122.06 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.58 139.66 97.64 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.2 -35.07 90.17 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.36 2.04 . . . . 0.0 112.271 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -33.16 65.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.51 131.78 51.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.1 p -65.49 173.51 2.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.584 HG21 ' O ' ' A' ' 50' ' ' LEU . 35.7 mm -64.33 -31.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.59 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 8.0 tt0 -58.96 -40.56 85.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.063 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 17.3 t-20 -64.4 -30.92 71.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.076 0.465 . . . . 0.0 110.584 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.972 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -76.27 -57.03 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.973 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 9.1 mmtm -57.99 -22.81 51.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -65.61 -57.01 9.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.838 -1.073 . . . . 0.0 109.594 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HB2' HD11 ' A' ' 15' ' ' LEU . 25.4 mttm -63.87 -44.07 94.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.964 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 HG21 ' A' ' 5' ' ' VAL . 67.1 mt -61.7 -32.71 54.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.236 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.74 -56.06 14.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.36 -25.73 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -74.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.258 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -20.17 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.498 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.55 29.74 23.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.194 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.773 HD13 HD22 ' A' ' 71' ' ' LEU . 13.9 mt -123.7 105.11 33.01 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.54 0.209 . . . . 0.0 111.164 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.9 Cg_exo -52.67 151.77 18.4 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.385 2.056 . . . . 0.0 112.272 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.9 Cg_exo -54.4 -46.08 36.15 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.547 2.165 . . . . 0.0 112.321 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -64.7 -30.98 72.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -65.87 -52.47 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.546 ' HB2' HD21 ' A' ' 69' ' ' LEU . 2.7 pp0? -120.31 138.22 53.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.37 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -96.3 -176.37 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.621 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' A' ' 67' ' ' LEU . 6.6 tp -149.67 134.31 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mt -128.19 146.68 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.634 ' CD1' HD23 ' A' ' 67' ' ' LEU . 7.4 t80 -153.84 121.77 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.88 40.65 32.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.23 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.89 24.15 75.74 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . 70.8 mmtt -115.15 140.52 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -91.37 104.29 16.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' HG ' ' A' ' 43' ' ' LEU . 9.8 mp -69.34 70.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.12 153.24 42.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -70.41 65.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.92 39.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -148.36 164.1 35.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.1 p -102.28 147.22 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.623 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.3 mt -59.1 -35.3 73.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.6 t -56.78 -29.25 62.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -35.31 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 29.9 m-85 -88.79 -9.58 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.337 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m120 63.47 63.88 0.85 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.424 HG12 ' CD2' ' A' ' 45' ' ' PHE . 29.8 mt -106.2 100.12 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -77.01 -169.34 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 143.21 46.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 57.54 28.21 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -69.46 133.82 48.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.745 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.36 102.18 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.723 ' HB3' HD11 ' A' ' 43' ' ' LEU . 22.9 mt -94.69 124.83 38.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.642 ' O ' HD12 ' A' ' 43' ' ' LEU . 8.0 m170 -76.97 107.62 9.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.503 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 5' ' ' VAL . 2.4 tt -86.59 147.34 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.434 ' HA ' HD12 ' A' ' 8' ' ' LEU . 24.1 t -130.9 94.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.937 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.773 HD22 HD13 ' A' ' 36' ' ' ILE . 7.5 mt -74.01 122.18 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.78 ' N ' HE21 ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.839 0.352 . . . . 0.0 110.817 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.52 HD13 HD21 ' A' ' 56' ' ' LEU . 19.8 pt -97.32 156.31 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.641 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -105.95 109.16 21.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.972 0.415 . . . . 0.0 111.245 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.577 HG21 HD11 ' A' ' 30' ' ' ILE . 38.9 t -83.79 106.12 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.731 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HB2' HG23 ' A' ' 12' ' ' THR . 8.7 tttt -91.57 139.01 31.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.95 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -103.05 170.77 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.5 OUTLIER -59.68 -48.31 82.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.3 p -59.32 -30.38 68.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.47 42.93 0.61 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.811 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -113.29 107.9 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.641 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -107.62 112.09 24.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.44 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.811 HD11 ' HE2' ' A' ' 11' ' ' LYS . 37.0 mm -113.39 141.71 28.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 112.156 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.47 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -77.81 110.8 13.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.06 179.27 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.884 HD12 HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -122.04 123.84 42.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 -179.383 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.604 ' N ' HD13 ' A' ' 15' ' ' LEU . 3.9 tp10 -81.26 115.26 20.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.379 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.907 HG11 HG13 ' A' ' 26' ' ' VAL . 11.2 m -143.71 118.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.87 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.09 154.47 29.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.26 -31.17 93.03 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.544 2.163 . . . . 0.0 112.053 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -96.86 26.22 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -97.49 113.34 25.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -56.93 157.45 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.018 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 HD23 ' A' ' 50' ' ' LEU . 51.3 mm -55.32 -38.19 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.107 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 3.6 mt-10 -59.52 -42.16 91.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.73 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 31.0 t-20 -66.99 -32.4 73.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.204 0.526 . . . . 0.0 110.415 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.907 HG13 HG11 ' A' ' 17' ' ' VAL . 3.0 t -73.83 -55.51 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.685 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.908 ' CE ' HD22 ' A' ' 43' ' ' LEU . 4.4 mmtm -56.82 -24.97 54.79 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -61.77 -60.25 3.94 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.717 178.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -59.9 -43.2 94.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.989 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.577 HD11 HG21 ' A' ' 5' ' ' VAL . 64.2 mt -62.52 -25.93 39.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.434 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -78.18 -36.75 47.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.754 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -85.18 -13.37 50.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.443 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.56 -33.51 10.96 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.709 0.29 . . . . 0.0 111.254 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.54 -27.59 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.474 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.76 28.94 14.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.169 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.875 HD13 HD21 ' A' ' 71' ' ' LEU . 31.0 mt -113.34 111.95 49.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.543 0.211 . . . . 0.0 111.142 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.9 145.98 38.43 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.396 2.064 . . . . 0.0 112.237 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.9 -37.81 92.89 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.497 2.131 . . . . 0.0 112.373 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.4 -30.58 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -59.12 -30.66 68.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.821 ' OE1' HD11 ' A' ' 69' ' ' LEU . 26.8 pt20 -131.39 162.83 29.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.121 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.16 166.81 14.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.679 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.908 HD22 ' CE ' ' A' ' 27' ' ' LYS . 7.4 tp -133.84 143.8 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.396 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.1 mt -139.6 144.39 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -142.27 123.77 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.77 31.39 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.233 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.09 25.38 62.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.439 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -122.49 113.5 19.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.17 103.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.611 ' CD2' HD23 ' A' ' 43' ' ' LEU . 7.8 mp -59.96 106.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.481 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -58.92 -163.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -96.28 -28.68 14.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.24 52.54 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.586 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -118.06 138.42 52.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.3 p -101.46 145.91 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.032 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.785 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.3 mp -57.75 -38.16 74.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.2 t -55.4 -29.33 58.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.757 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -90.12 -40.32 12.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.681 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -12.44 60.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.218 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 72.73 39.96 0.64 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.778 0.323 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.785 ' HB ' HD23 ' A' ' 56' ' ' LEU . 38.9 mt -93.68 100.4 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.5 -176.95 1.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.75 149.49 43.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 54.15 24.73 5.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -72.34 150.27 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.727 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -90.83 101.78 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.045 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 HD12 ' A' ' 3' ' ' ILE . 16.5 mt -95.72 117.45 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.698 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.533 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.6 m170 -67.09 137.45 56.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.821 HD11 ' OE1' ' A' ' 41' ' ' GLN . 9.1 tt -123.38 138.31 54.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.573 ' N ' HD23 ' A' ' 69' ' ' LEU . 36.0 t -117.69 95.01 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.875 HD21 HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.38 118.24 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.746 0.308 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 67' ' ' LEU . 13.9 pt -97.09 165.53 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.687 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -113.57 107.83 16.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 111.099 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.748 HG11 HD12 ' A' ' 69' ' ' LEU . 23.2 t -82.22 106.46 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.969 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.545 ' HB2' HG23 ' A' ' 12' ' ' THR . 4.3 tttt -95.83 125.0 40.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 69' ' ' LEU . 34.2 p -88.83 -177.48 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.03 -54.76 42.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.1 p -56.43 -27.6 57.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.73 29.2 2.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.832 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -89.82 101.73 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.687 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -101.14 107.71 19.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.479 179.723 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.832 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.0 mm -111.0 139.49 34.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.017 0.437 . . . . 0.0 111.981 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.481 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.3 110.79 11.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.11 179.394 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.764 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -123.96 124.15 41.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.863 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.627 ' N ' HD13 ' A' ' 15' ' ' LEU . 15.2 tp10 -81.71 123.69 28.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.158 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 5.5 m -148.63 122.84 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.894 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.6 142.84 94.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 52.5 Cg_exo -54.49 -29.89 61.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.496 2.131 . . . . 0.0 112.261 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.3 m -78.86 -30.83 45.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -58.78 139.79 55.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 26' ' ' VAL . 37.7 p -81.49 173.94 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -59.52 -37.63 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.034 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 5.2 tt0 -57.58 -41.44 81.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 15.3 t-20 -66.0 -30.93 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.17 0.51 . . . . 0.0 110.402 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 3.2 t -76.22 -57.01 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.665 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HE3' HD22 ' A' ' 43' ' ' LEU . 9.7 mmtm -56.96 -24.26 51.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.68 -59.73 4.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.732 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.758 ' NZ ' HG12 ' A' ' 17' ' ' VAL . 10.7 mttt -61.76 -44.03 97.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.824 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.404 ' CG1' ' HG ' ' A' ' 15' ' ' LEU . 80.9 mt -61.88 -26.49 40.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.376 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.24 -39.73 53.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.61 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -83.57 -12.06 56.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.308 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -99.4 -28.96 13.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.603 0.239 . . . . 0.0 111.307 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -119.63 -35.87 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.428 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.83 28.46 6.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.255 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.024 HD13 HD21 ' A' ' 71' ' ' LEU . 25.2 mt -107.45 107.13 59.98 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.587 0.232 . . . . 0.0 111.145 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.45 148.1 27.52 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.449 2.099 . . . . 0.0 112.265 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.57 -32.83 84.56 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.545 2.163 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.55 31.25 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.066 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -120.53 -37.37 3.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.589 ' OE1' HD11 ' A' ' 69' ' ' LEU . 24.5 pt20 -112.71 176.5 4.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.39 113.86 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.618 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 69' ' ' LEU . 4.6 tp -90.61 148.99 22.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 70' ' ' VAL . 4.0 mp -143.71 148.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.971 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -166.06 139.83 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.55 40.98 29.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.65 25.98 61.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 16.8 mttp -127.98 130.3 48.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.777 0.323 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -76.75 112.29 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mp -72.04 77.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.771 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.99 157.09 23.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -60.17 143.7 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.3 3.28 72.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -106.91 147.38 29.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 p -91.12 152.84 20.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.157 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.9 mt -66.26 -46.72 76.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.226 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -26.66 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -70.49 -31.21 68.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.674 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 36.0 m-85 -94.37 -16.0 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.22 68.8 0.39 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.923 0.392 . . . . 0.0 110.817 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -107.75 104.43 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.408 ' O ' HG22 ' A' ' 3' ' ' ILE . 66.7 mm-40 -72.41 -177.77 2.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 146.67 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 55.81 24.38 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.4 m -69.73 140.23 53.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.752 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.24 100.26 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.987 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.548 HD12 HD12 ' A' ' 3' ' ' ILE . 21.5 mt -91.22 118.01 30.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -69.76 113.31 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.751 ' HA ' HD12 ' A' ' 43' ' ' LEU . 1.7 tt -95.48 142.09 28.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.561 ' N ' HD23 ' A' ' 69' ' ' LEU . 27.7 t -126.81 97.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.024 HD21 HD13 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -77.9 116.68 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.437 ' HB2' HG22 ' A' ' 14' ' ' THR . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.746 0.308 . . . . 0.0 110.841 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 62' ' ' GLN . 12.3 pt -88.59 165.75 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.773 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.619 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -121.23 115.7 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.039 0.447 . . . . 0.0 111.286 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 30' ' ' ILE . 38.7 t -91.21 104.7 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.657 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.552 ' HB2' HG23 ' A' ' 12' ' ' THR . 6.1 tttp -93.2 132.51 37.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.405 HG22 ' HB3' ' A' ' 69' ' ' LEU . 25.3 p -94.13 157.37 16.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.595 ' CD1' HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -57.92 -28.43 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.1 -29.7 58.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.533 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.88 54.57 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.715 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -132.81 102.14 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -103.56 110.1 22.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.267 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.715 HD11 ' HE3' ' A' ' 11' ' ' LYS . 39.8 mm -111.47 141.05 28.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.494 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.61 110.86 11.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.186 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -124.8 126.68 46.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.605 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.656 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -87.77 129.76 35.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.367 -179.304 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.977 HG11 HG13 ' A' ' 26' ' ' VAL . 5.0 m -153.83 120.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.01 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.02 143.69 83.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.623 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.57 -27.73 15.11 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.44 2.093 . . . . 0.0 112.28 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -88.58 -21.38 24.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.958 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.62 115.59 2.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.659 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -59.91 164.13 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 59' ' ' TYR . 44.9 mm -56.39 -40.88 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -57.87 -41.92 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 16.7 t-20 -64.84 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.129 0.49 . . . . 0.0 110.663 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.977 HG13 HG11 ' A' ' 17' ' ' VAL . 2.4 t -75.94 -58.38 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.9 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.647 ' CE ' HD23 ' A' ' 43' ' ' LEU . 5.6 mmtm -56.1 -25.42 45.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -62.61 -57.84 9.67 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.627 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HB2' HD11 ' A' ' 15' ' ' LEU . 20.3 mttm -62.44 -39.07 92.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.853 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.585 HD11 HG21 ' A' ' 5' ' ' VAL . 64.3 mt -64.71 -27.92 43.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.314 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -73.04 -50.86 20.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.618 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.36 -20.88 62.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.265 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -70.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.259 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.44 -24.14 60.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.507 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.49 27.07 23.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.233 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.717 HD13 HD21 ' A' ' 71' ' ' LEU . 35.0 mt -118.23 113.35 37.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.597 0.237 . . . . 0.0 111.08 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.45 156.96 3.62 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.447 2.098 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.32 52.93 4.49 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.779 2.319 . . . . 0.0 112.431 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -162.56 -44.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.83 -24.23 56.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.994 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.843 ' OE1' HD11 ' A' ' 69' ' ' LEU . 17.7 pt20 -121.28 136.43 54.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -100.01 108.89 21.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.711 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.649 ' HG ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -88.72 126.01 35.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.2 mt -124.53 149.04 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.525 ' HB3' HD11 ' A' ' 50' ' ' LEU . 87.3 t80 -153.32 132.78 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.18 41.16 29.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.39 25.22 66.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -136.15 115.27 12.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -59.87 121.83 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.649 HD22 ' HG ' ' A' ' 43' ' ' LEU . 7.1 mp -60.36 86.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.745 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.91 143.43 45.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -61.73 115.51 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.63 24.02 4.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.564 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -121.62 146.71 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.1 p -103.63 148.38 26.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.797 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.3 mp -56.79 -31.23 64.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -29.16 64.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -90.01 -42.66 11.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 3.4 m-85 -72.2 -10.32 59.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.251 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t30 72.46 30.71 1.9 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.797 ' HB ' HD23 ' A' ' 56' ' ' LEU . 25.1 mt -85.39 100.72 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.877 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.508 ' O ' HG22 ' A' ' 3' ' ' ILE . 64.1 mm-40 -85.34 -172.82 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.63 142.9 54.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 56.42 25.39 9.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -61.52 -178.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.44 99.42 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.505 HD13 HD21 ' A' ' 50' ' ' LEU . 17.1 mt -94.55 121.96 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.749 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -77.97 115.22 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.213 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.843 HD11 ' OE1' ' A' ' 41' ' ' GLN . 8.6 tt -98.49 137.75 36.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.595 HG22 ' CD1' ' A' ' 8' ' ' LEU . 22.0 t -116.3 94.86 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.717 HD21 HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -72.28 113.13 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.611 ' HB3' HG22 ' A' ' 14' ' ' THR . 5.4 mt-30 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.697 0.284 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.515 HG12 HG22 ' A' ' 17' ' ' VAL . 4.0 pt -83.92 139.81 17.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.5 103.82 15.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.074 0.464 . . . . 0.0 111.245 -179.605 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.687 HG21 HD11 ' A' ' 30' ' ' ILE . 46.1 t -77.73 105.75 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.382 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.753 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.9 tttp -103.33 134.3 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.003 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.416 HG22 ' HB3' ' A' ' 69' ' ' LEU . 4.7 p -85.93 -162.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.26 67.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.2 p 53.31 81.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.05 -35.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.406 -0.902 . . . . 0.0 113.032 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.795 ' HE2' HD11 ' A' ' 13' ' ' ILE . 2.1 tptt -150.43 148.65 29.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 111.615 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.753 HG23 ' HB2' ' A' ' 6' ' ' LYS . 1.2 m -147.04 122.28 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.705 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.795 HD11 ' HE2' ' A' ' 11' ' ' LYS . 45.7 mm -123.58 142.86 38.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.862 0.689 . . . . 0.0 112.862 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -79.68 110.88 15.44 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.742 178.695 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -122.49 132.15 54.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.013 -179.018 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.748 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -87.66 129.31 35.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.102 -179.489 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.084 HG11 HG13 ' A' ' 26' ' ' VAL . 5.7 m -154.64 122.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.013 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.32 145.48 67.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 54.1 Cg_exo -51.91 -28.18 30.51 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.48 2.12 . . . . 0.0 112.262 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.515 ' C ' HG22 ' A' ' 55' ' ' THR . 19.4 m -102.56 30.08 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -100.59 118.59 37.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.2 p -59.47 160.76 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.743 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.656 HD12 HD23 ' A' ' 50' ' ' LEU . 45.2 mm -57.54 -36.94 55.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.182 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -59.56 -41.56 90.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.871 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 33.5 t-20 -66.69 -31.11 71.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.231 0.539 . . . . 0.0 110.313 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.084 HG13 HG11 ' A' ' 17' ' ' VAL . 3.1 t -75.39 -56.5 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.611 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.822 ' CE ' HD22 ' A' ' 43' ' ' LEU . 9.4 mmtm -56.79 -25.33 55.28 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -62.42 -58.77 6.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.714 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HB2' HD11 ' A' ' 15' ' ' LEU . 27.7 mttm -60.73 -42.54 97.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.006 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.687 HD11 HG21 ' A' ' 5' ' ' VAL . 65.1 mt -62.42 -29.36 46.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.203 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.74 -40.28 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.476 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -81.82 -14.12 56.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.331 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -97.91 -40.98 8.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -103.52 -29.8 10.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.9 26.21 11.92 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.32 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.439 HD13 HD22 ' A' ' 71' ' ' LEU . 35.2 mt -117.78 127.63 26.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.63 0.252 . . . . 0.0 111.112 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 70.6 Cg_endo -74.82 145.51 32.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.421 2.081 . . . . 0.0 112.187 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.3 Cg_exo -57.77 -27.13 76.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.573 2.182 . . . . 0.0 112.432 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.62 -28.87 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.304 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.404 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 13.5 mm100 -86.16 -47.34 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.132 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.643 ' HB2' HD21 ' A' ' 69' ' ' LEU . 20.3 pt20 -99.84 138.66 36.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.57 160.42 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.822 HD22 ' CE ' ' A' ' 27' ' ' LYS . 6.3 tp -121.43 147.56 45.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 mt -150.17 145.12 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -161.04 139.72 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.975 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.552 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . . . 57.18 40.07 28.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.34 25.12 62.25 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 12.3 mtmm -126.73 123.56 37.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.89 108.78 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.0 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.656 HD23 HD12 ' A' ' 23' ' ' ILE . 6.7 mp -66.28 77.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.705 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.5 160.24 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -69.94 66.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.52 41.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -133.25 137.21 45.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.515 HG22 ' C ' ' A' ' 20' ' ' SER . 2.9 p -97.44 143.62 27.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.846 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.4 mp -55.39 -30.71 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -30.71 66.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.64 -43.98 12.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.437 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 5.5 m-85 -76.22 -6.61 52.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 63.42 41.72 7.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.77 0.319 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.846 ' HB ' HD23 ' A' ' 56' ' ' LEU . 43.6 mt -86.18 99.96 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.933 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -75.15 -176.41 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.149 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -70.75 152.02 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 51.77 26.22 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.11 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -77.14 147.77 36.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.699 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.45 102.36 15.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.931 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.53 HD13 HD21 ' A' ' 43' ' ' LEU . 12.8 mt -94.44 118.52 31.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.486 ' O ' HD12 ' A' ' 43' ' ' LEU . 4.4 m-70 -62.53 131.82 50.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.955 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.677 HD12 HG11 ' A' ' 5' ' ' VAL . 3.8 tt -120.59 145.79 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' N ' HD23 ' A' ' 69' ' ' LEU . 23.6 t -127.1 94.93 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.446 HD23 HD21 ' A' ' 69' ' ' LEU . 11.0 mt -74.17 104.64 5.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.528 HG12 HG22 ' A' ' 17' ' ' VAL . 5.6 pt -90.8 169.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.662 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -121.04 105.86 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 0.0 111.13 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.681 HG13 HD11 ' A' ' 43' ' ' LEU . 16.9 t -83.85 111.2 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.486 ' HB2' HG23 ' A' ' 12' ' ' THR . 16.1 tttt -97.68 127.02 43.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 p -87.36 -176.07 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.23 -56.67 19.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.6 p -55.9 -26.77 48.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.26 28.14 3.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.846 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -87.11 100.64 12.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.662 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -99.65 108.87 21.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.442 179.618 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.846 HD11 ' HE3' ' A' ' 11' ' ' LYS . 41.9 mm -112.0 141.84 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.992 0.425 . . . . 0.0 112.088 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.484 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.16 110.79 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.069 179.463 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -127.6 129.77 47.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.36 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.726 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.4 tp10 -85.55 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.168 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.037 HG11 HG13 ' A' ' 26' ' ' VAL . 5.6 m -154.04 119.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.976 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.56 145.84 67.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.486 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 29.7 Cg_endo -63.79 -27.88 67.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.427 2.085 . . . . 0.0 112.328 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 p -97.72 37.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -122.99 141.76 51.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.3 p -68.44 171.02 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.679 HD12 HD23 ' A' ' 50' ' ' LEU . 39.0 mm -66.89 -31.05 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 44.5 mt-10 -58.36 -40.98 83.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.561 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 27.4 t-20 -64.01 -30.89 71.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.159 0.504 . . . . 0.0 110.583 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.037 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -76.58 -57.92 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.98 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.764 ' HE2' HD13 ' A' ' 43' ' ' LEU . 5.2 mmtp -56.56 -23.6 41.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.57 -62.37 1.63 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.911 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' HD11 ' A' ' 15' ' ' LEU . 21.6 mttm -59.86 -42.98 94.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.067 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.654 HD11 HG21 ' A' ' 5' ' ' VAL . 78.6 mt -63.1 -29.91 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.307 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -71.6 -39.32 70.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.318 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.03 -14.7 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.245 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -97.19 -27.52 14.51 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.348 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.64 -39.02 2.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.377 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.28 28.9 5.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.388 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.799 HD13 ' CD2' ' A' ' 71' ' ' LEU . 38.8 mt -111.86 108.53 55.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.544 0.212 . . . . 0.0 111.197 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.4 Cg_exo -50.88 152.97 9.18 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.426 2.084 . . . . 0.0 112.363 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 42.9 Cg_exo -56.55 -63.56 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.558 2.172 . . . . 0.0 112.643 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.27 -22.0 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.468 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -70.22 -39.16 75.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.303 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.597 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.2 pt20 -115.28 163.23 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 111.245 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 -140.41 124.68 17.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.764 HD13 ' HE2' ' A' ' 27' ' ' LYS . 4.0 tp -84.47 152.64 23.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 0.0 110.979 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mt -149.34 135.53 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.97 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -136.07 115.06 12.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.7 30.67 17.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.4 -29.44 10.24 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -61.92 113.86 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.17 101.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.679 HD23 HD12 ' A' ' 23' ' ' ILE . 5.4 mp -75.09 71.14 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.82 165.42 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.016 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -61.52 113.85 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.44 13.18 9.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.673 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 6.9 mmp_? -109.79 137.38 47.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 110.752 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.07 165.56 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.9 mt -87.31 -61.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.234 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -25.63 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.128 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -61.75 -30.78 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.766 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 22.4 m-85 -104.55 18.77 21.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 t30 55.83 76.45 0.28 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.839 0.352 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -119.63 103.29 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -84.41 -169.68 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -78.61 149.02 33.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 55.4 26.77 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -70.23 175.53 4.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.746 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.68 101.51 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD13 ' CD2' ' A' ' 43' ' ' LEU . 16.4 mt -99.91 117.96 35.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -71.19 140.88 50.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' A' ' 41' ' ' GLN . 3.6 tt -120.08 144.77 47.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.441 ' N ' HD23 ' A' ' 69' ' ' LEU . 23.6 t -125.91 98.44 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.799 ' CD2' HD13 ' A' ' 36' ' ' ILE . 11.8 mt -78.09 115.04 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.548 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.777 0.322 . . . . 0.0 110.697 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 62' ' ' GLN . 5.4 pt -96.61 150.39 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.701 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -99.97 117.25 33.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.006 0.432 . . . . 0.0 111.156 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -93.82 107.81 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.953 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.581 ' HB2' HG23 ' A' ' 12' ' ' THR . 34.6 tttt -93.92 124.96 38.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -87.33 173.18 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -58.44 -48.5 80.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -59.37 -29.1 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.14 45.48 0.68 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -112.87 102.54 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.701 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -98.49 106.67 18.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.342 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 47.0 mm -110.54 140.34 30.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 112.088 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.548 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -76.15 110.88 11.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.14 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.885 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -127.09 121.4 31.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.696 -179.445 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.593 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.3 tm-20 -85.28 120.88 27.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.013 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.003 HG11 HG13 ' A' ' 26' ' ' VAL . 5.9 m -142.4 129.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.162 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.9 154.68 80.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.807 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 33.6 Cg_endo -64.97 -50.72 2.0 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.41 2.074 . . . . 0.0 112.375 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 p -60.28 -29.77 69.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.48 118.11 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 26' ' ' VAL . 72.1 p -60.16 -177.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.448 HD12 HD23 ' A' ' 50' ' ' LEU . 43.8 mm -65.76 -37.13 79.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.6 tp10 -56.72 -42.51 79.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.718 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 10.9 t-20 -64.59 -33.21 75.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.255 0.55 . . . . 0.0 110.507 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.003 HG13 HG11 ' A' ' 17' ' ' VAL . 3.3 t -72.81 -55.59 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.863 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.674 ' HE3' HD13 ' A' ' 43' ' ' LEU . 10.7 mmtm -59.44 -21.74 60.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.43 -60.16 3.72 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.629 178.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' CB ' HD11 ' A' ' 15' ' ' LEU . 1.6 mptp? -60.03 -44.22 94.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.021 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.47 -27.96 43.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.423 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -73.99 -39.32 63.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.572 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -83.56 -13.51 54.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.272 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 -29.58 12.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.713 0.292 . . . . 0.0 111.265 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -116.04 -36.16 4.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.329 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.13 30.38 6.7 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.309 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.076 HD13 HD21 ' A' ' 71' ' ' LEU . 32.8 mt -115.72 112.17 43.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.5 0.19 . . . . 0.0 111.094 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 56.0 Cg_exo -52.12 150.26 19.5 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.456 2.104 . . . . 0.0 112.352 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.5 Cg_exo -57.82 -38.91 90.99 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.58 2.186 . . . . 0.0 112.476 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.24 -29.99 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.079 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.29 -28.82 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.693 ' HB2' HD21 ' A' ' 69' ' ' LEU . 11.2 pt20 -128.94 156.48 43.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.382 . . . . 0.0 111.209 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.83 -176.6 3.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.537 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.885 HD21 HD13 ' A' ' 67' ' ' LEU . 1.2 tp -154.85 138.08 15.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.926 0.393 . . . . 0.0 111.315 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mt -131.34 139.91 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CD1' HD23 ' A' ' 67' ' ' LEU . 24.8 t80 -154.15 136.1 14.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.59 30.67 19.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.4 27.86 73.11 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -128.01 143.16 51.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -84.9 114.18 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.87 HD22 HD23 ' A' ' 43' ' ' LEU . 10.1 mp -73.78 86.8 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.44 156.13 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.44 71.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.95 43.16 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.403 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 3.0 mtt180 -138.18 140.8 39.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -77.71 154.81 31.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.017 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.61 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.6 mt -71.63 -46.18 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 t -52.39 -25.97 11.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.54 -30.82 52.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.831 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 13.0 m-85 -91.81 8.75 35.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.365 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 58.64 35.08 24.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.724 0.297 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.433 HG12 ' CD2' ' A' ' 45' ' ' PHE . 32.6 mt -85.22 98.62 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.493 ' O ' HG22 ' A' ' 3' ' ' ILE . 2.6 mt-30 -80.68 -166.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.759 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 143.6 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 57.01 26.83 12.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.5 m -69.8 -177.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.82 100.05 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.885 HD13 HD21 ' A' ' 43' ' ' LEU . 21.3 mt -92.98 118.94 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -76.94 105.63 8.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.267 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 41' ' ' GLN . 6.0 tt -88.59 146.43 25.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.61 ' N ' HD23 ' A' ' 69' ' ' LEU . 21.5 t -123.54 94.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 HD13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -69.48 112.67 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.832 0.349 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.512 ' CD1' HD12 ' A' ' 67' ' ' LEU . 10.1 pt -87.85 172.0 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.485 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -123.48 101.58 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 110.965 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.727 HG11 HD12 ' A' ' 69' ' ' LEU . 21.6 t -79.14 111.01 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.4 ' HB2' HG23 ' A' ' 12' ' ' THR . 43.6 tttt -95.5 142.44 27.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.3 p -105.11 166.46 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -46.16 88.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.3 p -59.61 -29.46 68.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.28 47.99 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.84 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.85 109.83 15.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -109.14 116.83 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 179.679 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.84 HD11 ' HE2' ' A' ' 11' ' ' LYS . 41.0 mm -118.4 142.24 34.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.031 0.443 . . . . 0.0 112.034 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.479 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.27 110.82 11.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.137 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.692 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -126.39 127.01 44.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 -179.39 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.692 ' N ' HD13 ' A' ' 15' ' ' LEU . 46.0 tp10 -86.23 130.15 34.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.042 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 4.2 m -148.74 121.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -59.5 137.08 89.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.0 -27.24 53.55 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.433 2.089 . . . . 0.0 112.31 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 m -98.26 41.18 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -129.81 133.55 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.6 p -63.61 169.48 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 50' ' ' LEU . 43.5 mm -62.19 -30.96 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -59.07 -40.59 85.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.58 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 27.5 t-20 -64.22 -30.91 71.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.196 0.522 . . . . 0.0 110.689 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 2.6 t -76.29 -58.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.88 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.802 ' NZ ' HD22 ' A' ' 43' ' ' LEU . 9.1 mmtm -55.82 -25.04 39.87 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.28 -58.83 5.86 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.568 178.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HB2' HD11 ' A' ' 15' ' ' LEU . 22.4 mttm -61.75 -42.3 98.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.803 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.713 HD11 HG21 ' A' ' 5' ' ' VAL . 66.7 mt -62.5 -28.05 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.21 179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -73.8 -41.69 62.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.483 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.49 -14.19 58.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.227 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.11 -44.47 7.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.757 0.313 . . . . 0.0 111.225 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.88 -33.08 9.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.379 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.68 26.16 7.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.332 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.514 HD13 HD21 ' A' ' 71' ' ' LEU . 49.6 mt -118.0 127.13 26.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.523 0.202 . . . . 0.0 111.228 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 64.3 Cg_endo -73.68 148.43 41.76 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.427 2.085 . . . . 0.0 112.109 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 49.8 Cg_exo -55.38 -21.6 30.35 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.519 2.146 . . . . 0.0 112.621 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -80.44 -30.2 37.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.422 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 28.2 mt-30 -81.75 -29.12 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.191 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.757 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.7 pt20 -124.16 146.58 48.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.975 0.417 . . . . 0.0 111.116 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -118.34 179.79 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.478 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.802 HD22 ' NZ ' ' A' ' 27' ' ' LYS . 5.4 tp -140.71 147.87 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.046 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mt -148.41 144.51 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -163.17 139.44 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.001 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.14 39.71 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.08 25.62 62.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -123.64 140.68 52.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -81.77 112.94 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.0 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 23' ' ' ILE . 6.8 mp -78.93 70.04 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -60.9 160.65 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -70.56 65.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.23 40.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -140.6 141.6 35.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -75.77 173.2 11.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.621 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.5 mt -89.99 -39.08 13.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.174 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 t -58.54 -29.94 66.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -70.71 -30.66 67.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.401 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 26.9 m-85 -94.36 12.8 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.365 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 54.45 40.93 32.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.86 0.362 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.2 mt -88.65 127.46 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 3' ' ' ILE . 5.4 mm-40 -112.12 -169.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.22 141.94 45.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 58.35 27.37 15.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.9 m -80.06 134.79 36.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.781 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.93 104.45 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.512 HD12 ' CD1' ' A' ' 3' ' ' ILE . 12.0 mt -97.53 120.46 37.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.45 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.4 m-70 -66.18 137.04 56.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 41' ' ' GLN . 3.3 tt -121.28 151.97 39.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.622 ' N ' HD23 ' A' ' 69' ' ' LEU . 18.4 t -125.13 94.81 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.514 HD21 HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -82.28 107.01 14.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.945 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.713 ' HG2' HG22 ' A' ' 14' ' ' THR . 4.0 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.456 HG12 HG22 ' A' ' 17' ' ' VAL . 8.3 pt -96.62 171.51 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.561 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -121.42 106.45 11.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.962 0.41 . . . . 0.0 110.975 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.578 HG21 HD11 ' A' ' 30' ' ' ILE . 33.5 t -81.37 107.07 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.66 ' HB2' HG23 ' A' ' 12' ' ' THR . 33.1 tttm -98.83 125.26 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -90.57 162.66 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.445 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -59.48 -40.6 87.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.98 -31.65 71.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.42 63.93 0.35 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.856 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -142.97 104.0 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 111.007 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.66 HG23 ' HB2' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -103.68 109.13 20.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.367 179.708 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.856 HD11 ' HE2' ' A' ' 11' ' ' LYS . 43.7 mm -113.29 141.36 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.979 0.419 . . . . 0.0 112.073 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.713 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -76.59 110.82 11.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.092 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.659 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -126.57 123.77 38.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.773 -179.439 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.621 ' N ' HD13 ' A' ' 15' ' ' LEU . 29.3 tp10 -81.91 131.1 35.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.194 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.128 HG11 HG13 ' A' ' 26' ' ' VAL . 6.1 m -151.47 124.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.962 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.15 146.69 60.1 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.89 -28.41 48.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.486 2.124 . . . . 0.0 112.175 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.47 ' C ' HG22 ' A' ' 55' ' ' THR . 0.7 OUTLIER -104.86 31.35 4.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -98.95 118.05 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 26' ' ' VAL . 32.9 p -59.21 162.86 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.611 HD12 HD23 ' A' ' 50' ' ' LEU . 45.2 mm -58.52 -37.83 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 35.1 mt-10 -58.84 -41.77 87.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.619 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.9 t-20 -66.36 -31.04 71.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.212 0.53 . . . . 0.0 110.403 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.128 HG13 HG11 ' A' ' 17' ' ' VAL . 2.8 t -75.89 -55.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.728 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.684 ' HE2' HD22 ' A' ' 43' ' ' LEU . 7.5 mmtp -58.18 -23.77 56.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.81 -60.52 3.18 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.862 178.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 15' ' ' LEU . 21.2 mttm -59.94 -43.78 94.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.153 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.578 HD11 HG21 ' A' ' 5' ' ' VAL . 81.1 mt -62.23 -30.39 48.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.242 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -71.43 -38.7 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.536 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -83.79 -14.01 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.295 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.83 -28.27 13.93 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.285 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -118.2 -37.82 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.402 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.75 28.92 6.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.347 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.735 HD13 ' CD2' ' A' ' 71' ' ' LEU . 31.1 mt -108.04 116.41 57.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.51 0.195 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 50.4 Cg_exo -55.49 142.24 81.18 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.427 2.085 . . . . 0.0 112.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 35.6 Cg_exo -57.42 -30.87 89.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.471 2.114 . . . . 0.0 112.491 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.08 23.3 6.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.272 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -120.35 -32.83 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.727 ' HB2' HD21 ' A' ' 69' ' ' LEU . 20.9 pt20 -113.56 141.86 46.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.065 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -106.38 152.15 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.684 HD22 ' HE2' ' A' ' 27' ' ' LYS . 5.4 tp -123.18 147.03 47.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.038 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 48' ' ' LYS . 21.4 mt -149.3 142.73 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.035 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -158.25 141.54 15.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 37.93 29.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.2 26.8 68.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 44' ' ' ILE . 12.8 mtmm -126.36 145.34 50.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -83.94 109.44 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 23' ' ' ILE . 4.7 mp -69.19 100.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.45 159.36 16.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.1 115.96 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.81 16.01 7.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.652 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.29 131.11 55.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.47 HG22 ' C ' ' A' ' 20' ' ' SER . 8.0 p -95.03 149.42 21.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.848 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.4 mp -57.89 -30.69 66.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.6 t -59.41 -29.89 68.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.783 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.89 -47.54 10.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.772 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 6.9 m-85 -73.3 -11.5 60.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.314 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 68.93 42.35 1.33 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.848 ' HB ' HD23 ' A' ' 56' ' ' LEU . 45.7 mt -86.39 99.91 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -71.41 -176.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -71.97 149.86 44.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 52.92 25.55 4.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 m -72.82 147.47 45.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.729 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.74 104.54 17.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.568 HD13 HD21 ' A' ' 43' ' ' LEU . 11.8 mt -93.62 119.73 33.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -71.03 119.78 15.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 41' ' ' GLN . 1.9 tt -110.31 152.64 25.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.538 ' N ' HD23 ' A' ' 69' ' ' LEU . 25.1 t -137.83 94.92 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.735 ' CD2' HD13 ' A' ' 36' ' ' ILE . 15.1 mt -72.69 124.8 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.804 0.335 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.524 HG12 HG22 ' A' ' 17' ' ' VAL . 4.8 pt -91.84 145.02 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -97.48 110.21 22.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.98 0.419 . . . . 0.0 111.193 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.653 HG21 HD11 ' A' ' 30' ' ' ILE . 32.4 t -85.57 110.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.789 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB2' HG23 ' A' ' 12' ' ' THR . 4.3 tttt -97.84 134.75 40.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -101.06 163.05 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.64 ' O ' HD22 ' A' ' 8' ' ' LEU . 1.4 tm? -59.62 -42.51 92.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.6 p -59.35 -29.77 67.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.81 64.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.728 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -145.93 112.22 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.34 . . . . 0.0 110.955 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -109.05 115.14 29.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.46 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.728 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.7 mm -117.31 140.96 38.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.936 0.398 . . . . 0.0 112.02 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.472 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.99 110.89 10.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.108 179.392 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -126.05 127.51 45.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.758 -179.42 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.686 ' N ' HD13 ' A' ' 15' ' ' LEU . 36.3 tp10 -86.02 130.13 34.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.041 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.043 HG11 HG13 ' A' ' 26' ' ' VAL . 5.1 m -151.58 119.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.81 138.77 90.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.81 -26.26 47.03 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.437 2.091 . . . . 0.0 112.283 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.58 39.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -129.31 128.18 42.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.3 p -59.81 174.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.6 HD12 HD23 ' A' ' 50' ' ' LEU . 40.6 mm -66.67 -31.47 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.8 tt0 -59.86 -40.03 87.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.579 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 27.1 t-20 -65.48 -31.4 72.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.195 0.521 . . . . 0.0 110.478 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.043 HG13 HG11 ' A' ' 17' ' ' VAL . 2.6 t -76.44 -56.73 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.752 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.836 ' NZ ' HD22 ' A' ' 43' ' ' LEU . 9.7 mmtm -57.33 -23.73 50.58 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 177.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.2 -60.97 2.57 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.721 178.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HB2' HD11 ' A' ' 15' ' ' LEU . 25.0 mttm -60.52 -42.24 96.03 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.086 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.653 HD11 HG21 ' A' ' 5' ' ' VAL . 72.0 mt -63.58 -28.53 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.284 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.8 -38.44 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.549 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.07 -14.25 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.192 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -97.2 -28.71 13.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.662 0.268 . . . . 0.0 111.287 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.85 -37.35 3.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.427 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.32 29.63 5.95 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.243 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.766 HD13 HD22 ' A' ' 71' ' ' LEU . 35.5 mt -113.2 111.54 50.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.492 0.187 . . . . 0.0 111.198 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 67.6 Cg_exo -51.58 152.51 12.39 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.375 2.05 . . . . 0.0 112.364 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.9 Cg_exo -54.81 -48.79 19.35 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.623 2.215 . . . . 0.0 112.487 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.2 -29.51 61.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -58.98 -30.92 68.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.086 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.537 ' HB2' HD21 ' A' ' 69' ' ' LEU . 21.1 pt20 -128.36 168.15 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.171 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 -133.55 166.05 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.678 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.836 HD22 ' NZ ' ' A' ' 27' ' ' LYS . 6.0 tp -132.72 146.78 52.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 70' ' ' VAL . 3.8 mp -142.0 149.11 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.967 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CD1' HD23 ' A' ' 67' ' ' LEU . 5.6 t80 -161.72 129.89 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.43 40.01 29.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.74 24.31 69.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.539 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -121.1 124.52 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.354 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.54 102.83 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.6 HD23 HD12 ' A' ' 23' ' ' ILE . 5.6 mp -64.98 79.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.674 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.78 158.25 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -63.63 113.52 3.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.14 21.2 6.0 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.571 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -116.47 134.03 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.409 ' C ' HD23 ' A' ' 56' ' ' LEU . 2.0 p -72.45 171.58 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.64 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.4 mt -89.96 -36.7 14.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -57.91 -29.45 65.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -63.63 -31.18 72.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -101.78 9.67 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.36 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 m120 55.68 43.36 28.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.349 . . . . 0.0 111.029 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.429 HG12 ' CD2' ' A' ' 45' ' ' PHE . 26.5 mt -78.7 114.49 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.191 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.429 ' O ' HG22 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -94.18 -168.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.83 148.73 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 55.51 26.01 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.9 m -75.22 -175.59 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.761 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.98 99.47 6.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 45' ' ' PHE . 12.2 mt -92.04 119.08 31.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.49 ' O ' HD12 ' A' ' 43' ' ' LEU . 25.6 m80 -66.4 138.46 57.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.583 HD12 HG11 ' A' ' 5' ' ' VAL . 2.6 tt -127.47 148.8 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.489 ' N ' HD23 ' A' ' 69' ' ' LEU . 21.5 t -129.02 98.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.766 HD22 HD13 ' A' ' 36' ' ' ILE . 19.2 mt -80.76 116.83 20.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.457 ' HB3' HG22 ' A' ' 14' ' ' THR . 4.5 mt-30 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.72 0.295 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 62' ' ' GLN . 4.6 pt -86.78 142.69 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.656 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -93.49 108.37 20.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.969 0.414 . . . . 0.0 111.202 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.6 HG21 HD11 ' A' ' 30' ' ' ILE . 30.1 t -83.73 105.17 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.574 ' HB2' HG23 ' A' ' 12' ' ' THR . 7.1 tttt -93.51 129.47 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -93.38 166.87 12.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -59.14 -46.5 88.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.7 p -60.31 -30.19 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.11 55.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.775 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -127.85 101.53 6.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.656 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -102.35 106.64 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.514 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.775 HD11 ' HE3' ' A' ' 11' ' ' LYS . 45.9 mm -112.43 138.6 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 112.016 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.461 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -74.57 110.86 9.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.056 179.284 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.694 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -125.43 126.78 45.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.837 -179.337 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.676 ' N ' HD13 ' A' ' 15' ' ' LEU . 44.8 tp10 -84.95 130.65 34.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.937 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.103 HG11 HG13 ' A' ' 26' ' ' VAL . 4.6 m -150.32 120.89 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.04 141.43 90.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.19 -34.73 88.99 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.411 2.074 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.586 ' O ' HG22 ' A' ' 55' ' ' THR . 0.3 OUTLIER -74.23 -32.47 63.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -59.44 136.88 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.1 p -78.57 -175.59 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.617 HD12 HD23 ' A' ' 50' ' ' LEU . 37.9 mm -65.19 -35.46 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.7 tp10 -57.67 -41.37 81.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.565 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 2.3 t-20 -65.02 -30.89 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.123 0.487 . . . . 0.0 110.41 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.103 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -77.29 -56.66 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.856 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HE2' HD13 ' A' ' 43' ' ' LEU . 25.7 mmtp -56.44 -24.76 47.46 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.25 -61.35 2.3 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.951 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HB2' HD11 ' A' ' 15' ' ' LEU . 20.2 mttm -60.32 -43.39 96.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.044 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.6 HD11 HG21 ' A' ' 5' ' ' VAL . 76.5 mt -62.68 -29.23 46.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.333 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -39.83 67.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.56 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.75 -13.15 54.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.259 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 -28.67 13.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.25 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -118.67 -37.29 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.392 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.24 31.08 5.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.242 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.74 HD13 HD22 ' A' ' 71' ' ' LEU . 35.4 mt -117.15 107.08 46.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.546 0.212 . . . . 0.0 111.197 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -51.03 154.73 6.94 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.442 2.095 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.26 -62.9 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 112.482 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -59.65 -28.71 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -60.26 -37.09 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.191 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.523 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.3 pt20 -120.65 174.8 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 111.187 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.52 164.49 27.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.684 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.675 HD13 ' HE2' ' A' ' 27' ' ' LYS . 2.9 tp -136.79 143.52 43.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.123 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -140.85 142.0 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.43 ' CD2' HG12 ' A' ' 61' ' ' ILE . 33.4 t80 -159.32 137.66 10.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.95 39.08 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.22 26.61 64.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.498 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -125.79 146.2 49.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -83.98 118.29 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.617 HD23 HD12 ' A' ' 23' ' ' ILE . 6.5 mp -83.61 75.68 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.38 159.28 31.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -70.48 66.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.58 40.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -143.15 142.69 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 20' ' ' SER . 1.3 p -76.02 175.18 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.3 mt -89.93 -38.03 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.194 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.5 t -57.5 -30.1 64.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -71.87 -30.77 65.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 30.4 m-85 -93.3 4.12 54.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.438 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.3 m120 59.12 41.84 19.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.815 0.34 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.43 HG12 ' CD2' ' A' ' 45' ' ' PHE . 25.1 mt -87.01 118.61 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.586 ' O ' HG22 ' A' ' 3' ' ' ILE . 84.9 mm-40 -102.25 -177.79 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.89 143.37 55.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 58.23 26.65 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.9 m -72.95 150.52 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.06 101.44 13.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 3' ' ' ILE . 15.1 mt -92.55 121.3 33.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.673 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -75.09 113.11 12.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.6 tt -100.03 149.03 23.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.504 ' N ' HD23 ' A' ' 69' ' ' LEU . 22.0 t -134.38 97.55 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.74 HD22 HD13 ' A' ' 36' ' ' ILE . 12.9 mt -74.91 116.81 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.788 0.328 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.0 pt -92.12 144.7 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.797 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.4 OUTLIER -96.34 108.63 21.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.046 0.451 . . . . 0.0 111.229 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 30' ' ' ILE . 22.5 t -85.25 112.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.764 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HB2' HG23 ' A' ' 12' ' ' THR . 32.4 tttt -94.5 140.41 29.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.6 p -104.23 168.75 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -58.85 -48.14 82.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -29.46 66.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.5 46.26 0.63 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.549 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.725 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -117.97 112.19 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -108.97 115.95 31.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.559 179.733 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.725 HD11 ' HE2' ' A' ' 11' ' ' LYS . 44.2 mm -118.38 142.37 33.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 112.087 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.454 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.71 110.92 11.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.356 179.372 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD12 HG13 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -127.78 116.43 20.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.542 -179.554 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' N ' HD13 ' A' ' 15' ' ' LEU . 11.9 tm-20 -89.52 123.63 33.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.113 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.876 HG11 HG13 ' A' ' 26' ' ' VAL . 16.6 m -141.38 133.5 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.005 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.74 143.63 98.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.97 -47.5 20.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.376 2.05 . . . . 0.0 112.25 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.707 ' O ' HG22 ' A' ' 55' ' ' THR . 1.6 p -58.63 -34.44 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.002 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.65 123.55 16.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 26' ' ' VAL . 23.8 p -59.12 178.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.449 HD11 ' CE2' ' A' ' 59' ' ' TYR . 42.0 mm -64.44 -36.14 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 17.7 tt0 -58.62 -40.48 83.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.725 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 14.9 t-20 -64.44 -33.93 77.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.23 0.538 . . . . 0.0 110.591 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.876 HG13 HG11 ' A' ' 17' ' ' VAL . 2.9 t -71.44 -57.48 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.997 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.697 ' CE ' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -58.99 -22.2 60.15 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.309 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -61.9 -59.48 5.06 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.655 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.545 ' CE ' HG12 ' A' ' 17' ' ' VAL . 1.6 mptp? -60.05 -41.71 92.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.984 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 5' ' ' VAL . 68.8 mt -64.02 -25.45 38.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.563 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.89 -39.1 44.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.634 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.49 -15.07 53.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.59 -32.43 12.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.703 0.287 . . . . 0.0 111.432 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.23 -36.65 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.509 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.19 29.15 6.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.384 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.735 HD13 HD22 ' A' ' 71' ' ' LEU . 27.0 mt -115.48 110.96 44.39 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.555 0.217 . . . . 0.0 111.169 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.57 146.36 34.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.415 2.077 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.21 -35.09 95.0 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.451 2.101 . . . . 0.0 112.401 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -80.78 -31.24 35.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.04 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -29.14 68.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.622 ' HB2' HD21 ' A' ' 69' ' ' LEU . 9.0 pt20 -126.41 138.16 53.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.6 mtt85 -99.32 168.44 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.672 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.697 HD23 ' CE ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -139.47 124.72 18.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 70' ' ' VAL . 2.6 mp -122.52 142.65 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CD2' HG12 ' A' ' 61' ' ' ILE . 59.2 t80 -149.76 126.06 10.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . . . 57.03 31.29 19.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.84 26.0 70.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 12.9 mtmm -122.77 139.71 53.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -85.15 108.55 17.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.558 HD22 ' HG ' ' A' ' 43' ' ' LEU . 8.6 mp -64.53 81.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.6 145.2 40.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.89 74.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.36 43.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -140.8 142.18 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.804 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 20' ' ' SER . 69.2 p -80.61 146.91 30.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.618 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.5 mt -58.22 -30.33 66.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -58.09 -30.63 66.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.23 -41.48 76.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.725 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CE2' HD11 ' A' ' 23' ' ' ILE . 47.5 m-85 -85.7 -14.42 45.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 m120 66.61 54.32 0.86 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.443 HG12 ' CD2' ' A' ' 45' ' ' PHE . 22.3 mt -91.84 97.24 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -60.15 -169.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.98 147.54 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 58.18 24.24 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.68 -170.2 1.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.534 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -125.05 98.65 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.537 HD22 HD11 ' A' ' 43' ' ' LEU . 6.7 mt -82.95 138.33 33.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.575 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -89.24 103.34 15.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.335 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.622 HD21 ' HB2' ' A' ' 41' ' ' GLN . 2.0 tt -90.19 153.57 20.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.801 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.556 ' N ' HD23 ' A' ' 69' ' ' LEU . 19.5 t -133.87 94.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.735 HD22 HD13 ' A' ' 36' ' ' ILE . 50.1 mt -73.96 113.28 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.764 0.316 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.524 ' CD1' HD12 ' A' ' 67' ' ' LEU . 8.9 pt -88.29 172.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.36 101.42 7.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.0 111.081 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 69' ' ' LEU . 22.3 t -77.36 112.09 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.45 ' HB2' HG23 ' A' ' 12' ' ' THR . 21.6 tttt -100.0 135.5 41.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.998 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 p -99.06 172.79 7.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -67.32 -47.51 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -57.46 -28.7 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.78 69.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.425 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.826 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -146.83 110.08 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.994 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.573 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -109.13 114.73 28.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.542 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.826 HD11 ' HE2' ' A' ' 11' ' ' LYS . 41.5 mm -116.52 141.62 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.065 0.46 . . . . 0.0 111.984 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.81 110.83 10.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.289 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -127.0 126.2 42.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.756 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.667 ' N ' HD13 ' A' ' 15' ' ' LEU . 13.1 tm-20 -85.2 130.9 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.144 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.029 HG11 HG13 ' A' ' 26' ' ' VAL . 4.8 m -148.13 119.87 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.037 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.94 141.73 89.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.36 -33.47 96.26 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.351 2.034 . . . . 0.0 112.245 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -92.91 47.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.993 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -132.65 148.2 52.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.4 p -81.89 170.4 15.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.487 HD11 ' HG ' ' A' ' 50' ' ' LEU . 37.9 mm -61.62 -32.52 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.576 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 4.5 tm-20 -58.92 -40.78 85.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.591 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 3.1 t-20 -65.51 -30.96 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.194 0.521 . . . . 0.0 110.462 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.029 HG13 HG11 ' A' ' 17' ' ' VAL . 2.8 t -76.53 -56.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.77 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HE2' HD13 ' A' ' 43' ' ' LEU . 26.7 mmtp -57.15 -24.05 51.61 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 177.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.91 -61.46 2.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.905 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' A' ' 15' ' ' LEU . 19.5 mttm -59.94 -43.59 94.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.07 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 5' ' ' VAL . 76.6 mt -63.04 -28.34 44.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.428 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -73.16 -39.58 65.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.507 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -82.92 -14.49 54.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.224 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.0 -27.98 14.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.376 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -119.08 -39.33 2.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.359 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.79 28.09 5.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.429 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.759 HD13 HD22 ' A' ' 71' ' ' LEU . 37.0 mt -110.37 108.82 58.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.556 0.217 . . . . 0.0 111.154 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 57.7 Cg_exo -51.94 149.06 21.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.541 2.161 . . . . 0.0 112.36 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.4 Cg_exo -57.92 -30.69 90.56 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.54 2.16 . . . . 0.0 112.417 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -95.7 23.88 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -118.24 -31.8 4.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.583 ' HB2' HD21 ' A' ' 69' ' ' LEU . 23.4 pt20 -121.47 166.18 14.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.037 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -128.16 163.47 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.687 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.64 HD13 ' HE2' ' A' ' 27' ' ' LYS . 5.2 tp -132.6 144.56 50.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.067 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.486 ' CD1' HG23 ' A' ' 70' ' ' VAL . 3.5 mp -140.71 146.36 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.455 ' CD1' HD23 ' A' ' 67' ' ' LEU . 5.5 t80 -160.33 133.38 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.08 33.12 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.95 21.79 78.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.628 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -116.27 142.22 47.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -85.15 101.36 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.487 ' HG ' HD11 ' A' ' 23' ' ' ILE . 6.0 mp -67.44 79.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.77 159.89 28.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.95 116.28 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.85 16.69 9.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.63 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -110.77 132.22 54.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 110.789 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.38 168.55 18.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.034 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.632 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.3 mt -86.12 -41.43 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -57.2 -29.17 63.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.52 -31.07 70.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 40.1 m-85 -98.11 10.09 41.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.382 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 56.47 42.31 27.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.825 0.345 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.429 HG12 ' CD2' ' A' ' 45' ' ' PHE . 27.9 mt -82.65 128.48 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' HG22 ' A' ' 3' ' ' ILE . 29.3 mt-30 -112.17 -168.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -77.82 141.54 39.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 58.89 27.93 16.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.512 ' H ' HG22 ' A' ' 3' ' ' ILE . 45.1 m -80.09 137.39 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.673 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.14 105.56 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.524 HD12 ' CD1' ' A' ' 3' ' ' ILE . 10.9 mt -97.55 120.77 38.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.477 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.2 m-70 -68.14 137.39 54.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 5' ' ' VAL . 1.8 tt -126.09 151.05 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.603 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.4 t -135.85 94.94 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.759 HD22 HD13 ' A' ' 36' ' ' ILE . 6.5 mt -77.61 120.89 23.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.402 ' HB3' HG22 ' A' ' 14' ' ' THR . 7.5 mt-30 . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.626 0.25 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.494 HG12 HG22 ' A' ' 17' ' ' VAL . 4.4 pt -86.04 142.16 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.674 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -100.03 106.55 18.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.969 0.414 . . . . 0.0 111.148 -179.802 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.704 HG11 HD12 ' A' ' 69' ' ' LEU . 22.1 t -81.29 105.67 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HB2' HG23 ' A' ' 12' ' ' THR . 2.2 tttt -95.86 123.21 39.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 69' ' ' LEU . 27.6 p -87.89 175.84 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.638 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -59.59 -50.98 71.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -57.76 -28.11 63.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.48 41.51 0.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.83 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -105.99 100.15 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.938 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.674 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -100.51 106.35 17.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.512 179.612 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.83 HD11 ' HE3' ' A' ' 11' ' ' LYS . 44.9 mm -111.71 139.95 33.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.461 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.92 110.94 10.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.117 179.337 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -125.75 132.13 52.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 -179.354 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.763 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -89.5 130.06 35.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.087 -179.576 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 5.3 m -154.34 119.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.911 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -60.33 139.89 91.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.99 -27.21 62.79 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.414 2.076 . . . . 0.0 112.311 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.7 m -96.47 39.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -127.68 133.93 49.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.802 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.4 p -64.33 170.94 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.476 HD11 ' HG ' ' A' ' 50' ' ' LEU . 40.6 mm -63.71 -31.13 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 5.1 tt0 -58.7 -40.88 84.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.569 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 28.4 t-20 -64.5 -31.05 72.1 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.12 0.486 . . . . 0.0 110.423 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 2.6 t -76.9 -57.28 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.896 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.752 ' HE2' HD13 ' A' ' 43' ' ' LEU . 24.6 mmtp -56.35 -24.26 42.88 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.2 -61.84 1.99 Allowed 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.938 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HB2' HD11 ' A' ' 15' ' ' LEU . 22.5 mttm -59.82 -43.01 94.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.045 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.1 -29.05 46.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.335 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.72 -39.15 67.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.496 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -83.37 -14.55 52.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.29 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -98.52 -28.99 13.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.767 0.318 . . . . 0.0 111.374 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -116.87 -36.72 3.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.407 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.41 26.41 7.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.396 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.66 HD13 HD21 ' A' ' 71' ' ' LEU . 30.9 mt -110.9 103.96 55.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.567 0.222 . . . . 0.0 111.125 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.93 149.56 14.56 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.477 2.118 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.55 -28.96 76.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.582 2.188 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -97.04 27.27 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -123.08 -38.34 2.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.688 ' HB2' HD21 ' A' ' 69' ' ' LEU . 22.9 pt20 -115.01 164.79 13.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.129 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -124.45 162.72 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.688 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.752 HD13 ' HE2' ' A' ' 27' ' ' LYS . 2.5 tp -134.33 137.23 44.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.2 mt -136.29 137.79 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CD1' HD23 ' A' ' 67' ' ' LEU . 46.7 t80 -153.59 131.82 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.3 43.28 26.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 24.55 58.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -120.24 140.61 50.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.796 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -84.07 107.26 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' HG ' HD11 ' A' ' 23' ' ' ILE . 6.0 mp -72.2 76.52 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.781 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -73.77 158.53 34.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.1 113.73 3.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.61 19.23 6.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.666 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -116.25 136.15 53.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' HD23 ' A' ' 56' ' ' LEU . 2.4 p -73.8 172.48 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.642 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.3 mt -89.98 -36.73 14.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -57.64 -30.19 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.61 -30.92 71.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -98.77 2.74 47.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.414 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 58.78 51.2 7.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -88.29 103.93 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -83.25 -170.41 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 145.65 31.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 56.18 26.42 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.008 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 m -70.59 -175.97 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.767 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.1 104.79 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.999 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 67' ' ' LEU . 13.3 mt -94.72 119.1 32.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -71.04 113.11 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.704 HD12 HG11 ' A' ' 5' ' ' VAL . 1.8 tt -100.91 144.27 30.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.638 HG13 ' CD1' ' A' ' 8' ' ' LEU . 38.4 t -134.57 98.65 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.06 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.66 HD21 HD13 ' A' ' 36' ' ' ILE . 2.5 mm? -70.03 118.28 12.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.77 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.836 0.351 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.403 ' O ' ' CD2' ' B' ' 27' ' ' PHE . 35.9 p -109.37 30.79 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.43 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 5.2 mp0 -71.23 -41.05 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.96 -21.13 22.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -54.56 -56.39 19.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.152 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 28' ' ' LEU . 12.6 p90 -72.74 -30.84 64.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 15.9 tp -66.17 -36.11 82.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -31.74 65.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.425 ' CZ2' ' HG3' ' B' ' 34' ' ' GLU . 7.7 t90 -71.53 -33.07 68.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.54 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -28.07 63.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.723 ' HA ' HD22 ' A' ' 8' ' ' LEU . 3.0 ttm180 -57.31 -61.56 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -33.3 72.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.425 ' HG3' ' CZ2' ' B' ' 30' ' ' TRP . 0.3 OUTLIER -58.48 -32.64 68.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.52 -29.61 24.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.89 77.55 9.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -105.09 149.6 25.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -151.94 -61.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.5 ptp -113.67 -40.47 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.523 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ttt . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.899 0.38 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.03 105.58 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.552 HG22 ' H ' ' A' ' 65' ' ' SER . 8.6 pt -97.51 171.35 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.634 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -119.97 107.43 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.049 0.452 . . . . 0.0 111.07 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.668 HG13 HD11 ' A' ' 43' ' ' LEU . 24.6 t -82.56 106.64 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.572 ' HB2' HG23 ' A' ' 12' ' ' THR . 19.7 tttt -95.91 128.6 42.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 69' ' ' LEU . 30.3 p -92.52 169.49 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.723 HD22 ' HA ' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -58.69 -46.33 87.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.6 p -59.62 -29.66 68.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.35 46.97 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.765 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -117.2 102.03 8.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.634 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -102.38 108.28 19.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.424 179.588 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.765 HD11 ' HE3' ' A' ' 11' ' ' LYS . 43.7 mm -112.06 141.44 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.015 0.436 . . . . 0.0 112.059 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.479 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.12 110.88 10.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.184 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.673 HD12 HG13 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -127.57 122.3 32.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.763 -179.486 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.57 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -82.82 130.72 35.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.024 -179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.048 HG11 HG13 ' A' ' 26' ' ' VAL . 4.5 m -152.82 128.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.189 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.39 147.67 98.18 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 17.9 Cg_endo -60.33 -40.79 55.49 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.421 2.081 . . . . 0.0 112.214 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -30.95 69.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.35 126.3 26.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.7 p -64.2 173.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.498 HD12 HD23 ' A' ' 50' ' ' LEU . 44.5 mm -62.63 -33.0 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 13.3 mt-10 -57.98 -40.91 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 18.6 t-20 -64.89 -30.9 71.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.148 0.499 . . . . 0.0 110.516 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.048 HG13 HG11 ' A' ' 17' ' ' VAL . 2.8 t -76.68 -57.51 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.844 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.754 ' HE3' HD13 ' A' ' 43' ' ' LEU . 11.9 mmtm -56.23 -24.55 43.01 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -63.79 -60.31 3.46 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.691 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -61.18 -43.18 99.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.915 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.532 HD11 HG21 ' A' ' 5' ' ' VAL . 79.2 mt -62.73 -26.58 41.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.316 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.26 -37.77 57.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.465 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -83.97 -13.67 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.327 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.79 -29.49 13.33 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.759 0.314 . . . . 0.0 111.284 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -117.27 -36.74 3.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.34 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.9 27.69 6.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.324 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.789 HD13 ' CD2' ' A' ' 71' ' ' LEU . 25.8 mt -107.97 112.52 61.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.515 0.198 . . . . 0.0 111.117 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 57.1 Cg_exo -51.99 146.82 28.17 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.421 2.081 . . . . 0.0 112.314 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 42.4 Cg_exo -56.66 -35.71 97.61 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.544 2.163 . . . . 0.0 112.443 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.75 23.17 6.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.2 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -116.64 -27.68 6.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.6 ' OE1' HD11 ' A' ' 69' ' ' LEU . 27.3 pt20 -121.84 131.19 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.074 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -102.51 127.26 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.611 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.881 ' CD2' HD13 ' A' ' 67' ' ' LEU . 1.1 tp -103.75 144.1 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 111.256 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.36 149.78 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.441 ' CD1' HD23 ' A' ' 67' ' ' LEU . 8.1 t80 -157.79 132.55 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.47 30.55 18.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.01 26.82 71.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -124.85 135.33 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -80.13 109.02 14.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.872 HD22 HD23 ' A' ' 43' ' ' LEU . 8.1 mp -66.25 101.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.86 152.7 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.38 -30.18 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.04 53.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -137.19 150.9 48.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 p -87.91 174.79 8.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.579 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.8 mt -89.97 -47.39 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.302 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.6 t -51.96 -26.04 9.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -31.07 71.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.758 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -100.78 11.03 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 58.53 43.74 18.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 45' ' ' PHE . 26.2 mt -84.14 104.82 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.434 ' O ' HG22 ' A' ' 3' ' ' ILE . 46.5 mt-30 -91.54 -168.67 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 144.76 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 56.23 25.4 9.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.02 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.552 ' H ' HG22 ' A' ' 3' ' ' ILE . 72.1 m -70.83 139.81 51.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.697 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.4 98.77 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.881 HD13 ' CD2' ' A' ' 43' ' ' LEU . 13.1 mt -91.12 120.1 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.592 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 14.4 m170 -71.26 128.48 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.929 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.6 HD11 ' OE1' ' A' ' 41' ' ' GLN . 2.6 tt -114.39 149.66 35.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.648 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.8 t -132.1 95.04 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.789 ' CD2' HD13 ' A' ' 36' ' ' ILE . 44.3 mt -70.78 114.94 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 ttm-85 -73.86 110.5 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.71 174.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 60.47 103.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.55 -117.08 4.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.483 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 73.4 p -59.41 -36.63 76.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -50.85 63.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.83 -29.24 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -58.36 -52.58 65.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -60.23 -26.73 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.4 HD13 ' HB3' ' A' ' 68' ' ' HIS . 15.4 tp -59.37 -37.95 79.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.761 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -67.88 -32.84 73.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.532 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -62.42 -31.7 72.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.538 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.502 ' NE1' HG11 ' A' ' 70' ' ' VAL . 3.4 t-105 -73.0 -34.88 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' B' ' 36' ' ' ALA . 11.3 ttm-85 -60.04 -39.86 87.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 14.1 p -72.41 -31.66 65.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.98 -37.68 80.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -31.47 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' B' ' 32' ' ' ARG . . . -110.05 97.37 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -74.32 87.3 2.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -106.09 -44.74 4.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.5 ttp -60.33 -64.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.551 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.801 0.334 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.616 ' HB3' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -85.09 84.68 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.43 HG12 HG22 ' A' ' 17' ' ' VAL . 5.8 pt -85.06 139.17 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.649 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -97.89 107.02 19.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.176 -179.701 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.602 HG21 HD11 ' A' ' 30' ' ' ILE . 22.5 t -83.47 109.03 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.896 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.65 ' HB2' HG23 ' A' ' 12' ' ' THR . 30.8 tttt -98.84 121.9 41.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -88.45 168.12 12.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -59.71 -49.41 77.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -55.98 -27.33 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.01 68.03 0.56 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.406 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.845 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -142.07 103.46 4.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -102.08 106.5 17.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.366 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.845 HD11 ' HE3' ' A' ' 11' ' ' LYS . 39.9 mm -111.75 140.13 32.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.616 HG22 ' HB3' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -76.52 110.78 11.35 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.046 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -122.52 127.73 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 -179.295 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.684 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -87.41 130.59 34.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.14 -179.535 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.013 HG11 HG13 ' A' ' 26' ' ' VAL . 4.4 m -152.84 123.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.89 145.68 88.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.679 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 27.0 Cg_endo -62.82 -26.48 74.79 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.506 2.137 . . . . 0.0 112.244 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.5 m -96.32 40.42 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -127.72 140.62 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 p -70.39 164.59 24.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -60.1 -33.05 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 5.4 tm-20 -59.1 -40.66 86.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 9.9 t-20 -64.87 -31.03 72.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.167 0.508 . . . . 0.0 110.582 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.013 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -75.49 -58.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.909 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.619 ' HE3' HD13 ' A' ' 43' ' ' LEU . 9.6 mmtm -56.58 -24.7 49.17 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -62.94 -57.72 9.79 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.541 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HB2' HD11 ' A' ' 15' ' ' LEU . 14.7 mttm -62.02 -40.25 95.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.813 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.602 HD11 HG21 ' A' ' 5' ' ' VAL . 73.0 mt -64.17 -27.58 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.306 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -73.73 -45.69 50.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.516 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -74.72 -19.11 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -90.62 -57.79 2.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.142 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -85.13 -33.42 22.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.41 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.47 26.49 7.67 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.253 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.752 HD13 ' CD2' ' A' ' 71' ' ' LEU . 41.8 mt -117.17 118.71 35.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.531 0.205 . . . . 0.0 111.18 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.24 153.7 26.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.433 2.089 . . . . 0.0 112.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.87 -24.89 17.28 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.601 2.201 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.33 29.15 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -128.01 -40.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.71 ' NE2' HD11 ' A' ' 69' ' ' LEU . 11.6 pt20 -106.87 130.89 54.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.096 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -99.37 121.46 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.572 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.95 HD23 HD22 ' A' ' 50' ' ' LEU . 1.2 tp -95.61 150.36 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.284 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.43 HG12 ' CZ3' ' B' ' 31' ' ' TRP . 3.5 mp -141.06 148.57 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.949 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -149.63 130.05 13.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 22.13 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.367 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.57 -24.52 25.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.691 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -77.35 136.45 38.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 110.982 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -76.89 121.98 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.95 HD22 HD23 ' A' ' 43' ' ' LEU . 3.9 mp -76.78 93.97 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.49 156.2 38.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -55.56 -29.18 58.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.93 62.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -140.94 142.71 34.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.4 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -84.48 175.51 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.4 mt -90.01 -57.85 2.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.315 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -51.94 -26.29 10.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.232 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -72.95 -31.02 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.817 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -93.06 8.79 38.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.305 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.0 m120 61.16 39.9 15.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.774 0.321 . . . . 0.0 111.171 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.9 mt -85.2 99.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.014 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -82.77 -175.27 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 146.13 34.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 56.36 25.17 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -70.55 -175.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.87 100.85 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.865 HD13 ' CD2' ' A' ' 43' ' ' LEU . 13.4 mt -93.31 121.99 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.651 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.4 ' HB3' HD13 ' B' ' 28' ' ' LEU . 84.8 m-70 -75.68 125.39 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.027 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.71 HD11 ' NE2' ' A' ' 41' ' ' GLN . 4.5 tt -108.45 142.02 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.3 t -127.58 95.7 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.752 ' CD2' HD13 ' A' ' 36' ' ' ILE . 12.2 mt -70.49 106.01 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -75.19 148.22 39.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 tp -88.12 120.52 29.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -111.98 86.79 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.09 52.27 0.16 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.477 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.545 ' O ' HG22 ' B' ' 23' ' ' THR . 25.4 m -98.33 33.17 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -84.88 -42.0 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.96 -46.18 62.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.446 ' O ' ' CE3' ' B' ' 30' ' ' TRP . 67.2 m-20 -60.2 -31.06 69.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.03 -19.67 1.14 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.694 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.501 HD21 HD12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -40.07 -69.05 0.14 Allowed 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -50.71 -21.85 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.72 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.446 ' CE3' ' O ' ' B' ' 26' ' ' ASP . 8.6 m-90 -90.31 11.01 22.62 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.954 ' CE2' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -110.07 12.91 23.42 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.666 0.27 . . . . 0.0 111.289 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -79.42 -51.09 9.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.62 -31.25 71.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.28 -36.34 74.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -94.24 16.21 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.3 72.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.854 0.359 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -100.52 127.51 46.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -135.8 31.55 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.31 -31.8 10.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.518 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.554 ' HG3' HG23 ' A' ' 3' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.809 0.338 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -72.91 81.17 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.554 HG23 ' HG3' ' A' ' 1' ' ' MET . 3.7 pt -96.09 150.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.587 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -106.64 112.47 25.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 0.0 111.139 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 30' ' ' ILE . 30.0 t -86.21 108.13 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.806 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.422 ' CB ' HG23 ' A' ' 12' ' ' THR . 10.0 tttm -96.13 128.69 43.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -90.19 -171.15 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.23 -58.01 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.016 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -56.27 -29.18 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.001 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.45 -3.64 9.5 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.801 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.779 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -56.74 111.33 0.98 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.916 0.389 . . . . 0.0 111.012 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -110.53 117.37 33.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.537 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.779 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.1 mm -115.52 140.62 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.097 0.475 . . . . 0.0 112.18 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.484 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.21 110.83 11.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.112 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -126.17 132.32 51.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.963 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.75 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -88.51 129.59 35.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.069 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 5.7 m -155.78 118.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.999 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.08 140.32 94.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.58 -27.98 62.88 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.474 2.116 . . . . 0.0 112.201 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.4 m -96.82 41.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.1 136.17 50.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -64.67 160.39 19.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.697 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 50' ' ' LEU . 42.6 mm -58.64 -29.54 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 14.4 tt0 -59.59 -41.04 89.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 17.7 t-20 -63.83 -30.84 71.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.138 0.494 . . . . 0.0 110.531 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 2.9 t -76.25 -58.1 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.976 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.834 ' HE2' HD13 ' A' ' 43' ' ' LEU . 26.9 mmtp -56.23 -24.36 41.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.85 -60.46 3.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.803 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HB2' HD11 ' A' ' 15' ' ' LEU . 16.7 mttm -60.68 -43.56 97.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.022 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 5' ' ' VAL . 69.6 mt -62.02 -30.04 47.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.184 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.3 tm0? -71.74 -39.52 70.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.513 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.63 -12.99 55.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.248 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.04 -29.69 12.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.644 0.259 . . . . 0.0 111.248 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -116.81 -36.45 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.42 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.43 28.61 7.05 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.311 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.729 HD13 HD22 ' A' ' 71' ' ' LEU . 36.0 mt -113.82 108.67 51.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.501 0.191 . . . . 0.0 111.132 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.97 153.66 8.41 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.392 2.061 . . . . 0.0 112.256 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.17 -63.35 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.522 2.148 . . . . 0.0 112.458 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -59.18 -21.28 59.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.382 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -71.92 -31.63 66.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.288 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.636 ' HB2' HD21 ' A' ' 69' ' ' LEU . 22.6 pt20 -128.16 135.04 49.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 111.234 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -96.56 175.17 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.715 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.834 HD13 ' HE2' ' A' ' 27' ' ' LYS . 5.7 tp -142.89 137.95 29.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.023 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.954 HD11 ' CE2' ' B' ' 31' ' ' TRP . 30.0 mt -138.59 141.09 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -152.26 130.81 12.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.55 38.0 29.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.187 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.43 26.1 70.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -122.32 141.02 51.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -80.42 117.43 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.597 HD23 HD23 ' A' ' 43' ' ' LEU . 4.3 mp -82.65 79.01 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.62 151.21 25.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -53.01 -29.45 29.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.09 61.1 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -146.93 145.13 29.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.746 0.308 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -83.21 178.69 7.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.609 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.4 mt -90.02 -40.64 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.224 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -57.25 -28.64 63.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.49 -30.04 70.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 71.2 m-85 -101.15 16.45 25.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 53.78 39.52 30.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.0 mt -78.16 117.2 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -103.24 -178.98 3.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.63 139.81 56.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 54.67 28.94 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -67.33 148.13 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.784 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.0 101.2 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 67' ' ' LEU . 15.6 mt -93.44 119.13 32.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.742 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.495 ' O ' HD12 ' A' ' 43' ' ' LEU . 54.4 m-70 -70.75 126.16 28.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 41' ' ' GLN . 3.4 tt -111.31 146.61 36.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.472 HG21 ' HE1' ' B' ' 31' ' ' TRP . 25.3 t -127.11 94.97 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.038 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.729 HD22 HD13 ' A' ' 36' ' ' ILE . 36.7 mt -73.34 103.3 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -74.42 157.11 36.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.37 -177.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -127.49 108.62 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.15 -169.12 32.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.497 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.849 0.356 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.0 -32.34 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -60.05 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -62.22 -31.27 71.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.002 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.7 -31.2 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.51 -29.21 70.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.657 HD22 ' HD2' ' A' ' 68' ' ' HIS . 15.4 tp -61.07 -46.53 90.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.683 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.78 -32.98 74.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -59.92 -27.95 67.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.683 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.457 ' NE1' HG11 ' A' ' 70' ' ' VAL . 1.3 t-105 -56.65 -23.77 43.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -55.91 -31.28 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.1 p -85.02 -38.65 18.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -34.63 76.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -94.66 16.33 15.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.264 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.04 31.19 3.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.799 0.333 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -118.84 35.7 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -99.3 -31.82 11.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -47.19 14.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.546 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.474 ' CE ' HD22 ' A' ' 56' ' ' LEU . 8.8 ttt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.04 114.19 25.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.3 pt -103.74 176.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.63 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -125.84 112.85 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.106 0.479 . . . . 0.0 111.277 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.518 HG21 HD23 ' A' ' 15' ' ' LEU . 45.6 t -89.06 107.68 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.594 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' CB ' HG23 ' A' ' 12' ' ' THR . 1.6 ttpm? -89.81 142.42 27.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.3 p -104.96 163.89 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.804 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -57.78 -46.08 85.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.853 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -29.22 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.67 58.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.448 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.74 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -135.49 111.63 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 111.044 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.63 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -107.13 115.84 30.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.262 179.541 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.74 HD11 ' HE2' ' A' ' 11' ' ' LYS . 28.4 mm -114.11 142.35 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.473 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -71.3 115.6 10.64 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.562 178.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.674 HD11 ' HD2' ' A' ' 29' ' ' LYS . 5.5 tp -130.1 113.4 14.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.912 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' N ' HD12 ' A' ' 15' ' ' LEU . 17.5 tp10 -82.27 119.04 23.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.151 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.956 HG11 HG13 ' A' ' 26' ' ' VAL . 8.2 m -143.34 120.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.68 155.41 21.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.11 -26.9 83.41 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.55 2.167 . . . . 0.0 112.053 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -97.39 26.75 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.757 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -99.55 109.94 22.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.664 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -57.97 160.16 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.694 HD12 HD23 ' A' ' 50' ' ' LEU . 45.1 mm -55.95 -37.05 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 18.2 tt0 -59.91 -41.53 91.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.661 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 8.9 t-20 -66.93 -32.44 73.69 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.299 0.571 . . . . 0.0 110.477 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.956 HG13 HG11 ' A' ' 17' ' ' VAL . 2.5 t -74.75 -55.23 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.596 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.77 ' HE3' HD13 ' A' ' 43' ' ' LEU . 6.1 mmtm -57.84 -25.24 60.42 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 176.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -61.91 -57.74 10.61 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.72 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.674 ' HD2' HD11 ' A' ' 15' ' ' LEU . 21.5 mttm -60.2 -38.82 84.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.149 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.443 ' CG1' HD22 ' A' ' 15' ' ' LEU . 82.3 mt -66.23 -30.8 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.466 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -71.59 -40.58 69.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.806 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.2 -15.64 40.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.422 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CE ' HD13 ' A' ' 15' ' ' LEU . 8.2 mtmm -91.88 -35.2 14.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.686 0.279 . . . . 0.0 111.249 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.58 -27.89 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.338 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.65 30.96 7.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.358 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.758 HD13 HD22 ' A' ' 71' ' ' LEU . 26.9 mt -123.19 108.36 32.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.577 0.227 . . . . 0.0 111.2 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.46 152.96 11.15 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.558 2.172 . . . . 0.0 112.311 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.92 -54.77 4.52 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.579 2.186 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.73 -29.9 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -59.76 -54.34 47.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.559 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.3 pp0? -120.73 135.37 55.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -98.47 -177.42 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.674 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.943 HD23 HD22 ' A' ' 50' ' ' LEU . 1.4 tp -145.1 154.1 42.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.167 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.508 HD12 ' C ' ' A' ' 43' ' ' LEU . 3.8 mp -145.65 152.56 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 67' ' ' LEU . 13.0 t80 -161.68 137.21 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.3 35.16 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.69 26.64 72.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.508 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -128.22 125.17 38.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.59 110.25 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.943 HD22 HD23 ' A' ' 43' ' ' LEU . 6.4 mp -63.87 113.78 3.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -70.05 -166.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -106.34 30.26 6.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.81 32.17 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.453 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -109.7 144.93 37.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.8 147.3 27.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.836 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.5 mp -56.42 -33.38 65.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.035 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.5 t -57.4 -27.82 62.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.734 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.96 -41.62 11.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.786 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 3.0 m-85 -76.1 -11.27 59.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 m120 69.63 39.53 1.52 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.836 ' HB ' HD23 ' A' ' 56' ' ' LEU . 51.2 mt -87.14 99.51 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.804 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.65 -170.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.76 155.13 24.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 48.32 27.86 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.228 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 m -74.86 -178.86 3.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -121.77 99.9 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.885 HD13 ' CD2' ' A' ' 43' ' ' LEU . 12.2 mt -89.82 126.54 35.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.487 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.657 ' HD2' HD22 ' B' ' 28' ' ' LEU . 16.1 m80 -76.89 118.73 19.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.008 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' A' ' 43' ' ' LEU . 5.4 tt -103.97 135.24 45.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.708 ' HA ' HD12 ' A' ' 8' ' ' LEU . 39.7 t -116.58 100.12 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.758 HD22 HD13 ' A' ' 36' ' ' ILE . 2.0 mt -80.49 112.61 17.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -72.4 92.85 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.68 150.44 36.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -92.64 -178.1 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.49 118.99 1.79 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.488 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.728 0.299 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.04 -29.85 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.061 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -60.0 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -28.48 66.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -38.58 78.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.059 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -59.47 -33.92 71.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' B' ' 28' ' ' LEU . 9.6 tp -62.6 -53.6 52.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.654 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -60.99 -30.78 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.472 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -59.49 -32.13 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.533 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.565 ' CE2' HG11 ' A' ' 70' ' ' VAL . 1.3 t90 -78.98 -28.78 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -31.19 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.6 p -87.69 -31.51 19.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.79 -34.78 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.562 ' O ' HD11 ' A' ' 73' ' ' LEU . 3.7 mt-10 -79.71 -31.14 41.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.87 78.56 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -124.05 136.28 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.93 32.24 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -136.52 -53.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.507 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.806 0.336 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.629 ' HG2' HG22 ' A' ' 14' ' ' THR . 2.8 tt0 -101.83 111.54 23.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.692 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 pt -103.83 173.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.627 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -119.53 110.38 16.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.149 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.556 HG13 HD11 ' A' ' 43' ' ' LEU . 43.8 t -86.27 106.42 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.48 ' HB2' HG23 ' A' ' 12' ' ' THR . 15.8 tttp -93.72 131.75 38.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -93.39 159.77 15.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -58.56 -33.12 69.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -71.27 -30.56 66.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.97 60.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.829 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -139.5 105.06 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.955 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.627 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -103.46 110.98 23.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.394 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.829 HD11 ' HE2' ' A' ' 11' ' ' LYS . 38.5 mm -113.49 142.74 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.998 0.428 . . . . 0.0 112.146 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.629 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -75.25 117.14 16.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.045 179.352 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.739 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -134.77 118.94 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.684 -179.503 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.535 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.6 tm-20 -80.4 124.23 28.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.158 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.926 HG11 HG13 ' A' ' 26' ' ' VAL . 8.3 m -141.59 120.3 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.014 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.88 143.63 87.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.471 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 32.8 Cg_endo -64.65 -29.66 60.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.491 2.127 . . . . 0.0 112.298 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 t -95.11 43.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.91 148.11 49.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.7 p -76.08 172.96 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.773 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.637 HG22 ' HG2' ' A' ' 27' ' ' LYS . 37.0 mm -66.38 -30.62 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.626 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 2.8 mt-10 -54.56 -43.79 72.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.576 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 28.6 t-20 -65.82 -30.84 71.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.076 0.465 . . . . 0.0 110.79 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.926 HG13 HG11 ' A' ' 17' ' ' VAL . 3.5 t -74.91 -59.31 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.053 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HG2' HG22 ' A' ' 23' ' ' ILE . 9.9 mmtp -56.9 -23.86 47.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -63.45 -57.76 9.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.825 178.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HB2' HD11 ' A' ' 15' ' ' LEU . 22.0 mttm -62.99 -42.55 99.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.016 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.533 HD11 HG21 ' A' ' 5' ' ' VAL . 71.4 mt -63.15 -28.1 44.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.325 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -71.12 -54.08 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.539 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.37 -21.43 65.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.66 -74.58 0.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.895 0.379 . . . . 0.0 111.15 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -69.97 -30.86 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.39 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.23 28.56 8.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.345 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.983 HD13 HD21 ' A' ' 71' ' ' LEU . 45.6 mt -122.9 114.52 29.62 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.49 0.186 . . . . 0.0 111.207 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HG2' ' CG ' ' A' ' 40' ' ' GLN . 34.3 Cg_endo -65.51 152.51 81.65 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.282 1.988 . . . . 0.0 112.188 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.8 Cg_exo -59.16 -26.19 80.82 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.643 2.229 . . . . 0.0 112.546 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.38 -1.63 50.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.654 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 8.6 mm100 -109.28 -26.63 9.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.688 0.28 . . . . 0.0 111.283 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.723 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.9 pt20 -127.97 164.61 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 111.223 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -132.35 171.14 14.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.622 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 69' ' ' LEU . 3.5 tp -137.71 149.53 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.481 HD11 ' CZ3' ' B' ' 31' ' ' TRP . 4.1 mp -143.5 138.93 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -137.54 114.44 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.41 29.51 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.69 -26.3 20.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.567 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.46 136.07 56.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.354 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.41 112.65 21.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 23' ' ' ILE . 6.5 mp -86.58 74.64 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.37 169.23 18.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.59 64.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.52 36.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 5.1 mmp_? -137.29 140.05 41.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.788 0.328 . . . . 0.0 110.744 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.12 167.4 21.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.9 mt -88.14 -61.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -25.57 12.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.173 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -63.86 -31.37 72.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.8 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 20.5 m-85 -99.08 5.49 46.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.339 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 59.54 70.04 0.67 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.912 0.387 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -109.07 97.53 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -74.7 -168.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.19 151.06 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.97 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 53.91 26.79 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.7 m -71.22 137.27 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.726 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.1 101.26 12.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 HD23 ' A' ' 43' ' ' LEU . 15.1 mt -93.38 122.43 35.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.694 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.4 ' NE2' HD21 ' B' ' 28' ' ' LEU . 2.0 t-80 -74.32 114.52 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 41' ' ' GLN . 5.0 tt -96.18 148.75 22.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.675 ' HA ' HD12 ' A' ' 8' ' ' LEU . 22.9 t -127.88 94.9 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.983 HD21 HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -72.25 103.97 3.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.762 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -59.07 169.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.562 HD11 ' O ' ' B' ' 35' ' ' GLU . 7.1 mp -60.23 174.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -72.63 145.08 47.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.36 168.2 34.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.467 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.788 0.327 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.7 p -110.07 -29.29 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -57.93 -55.76 30.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.31 -20.79 57.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -53.2 -58.44 7.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.213 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' B' ' 28' ' ' LEU . 11.3 p90 -67.37 -31.11 71.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 21.4 tp -63.1 -30.65 71.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -56.64 -30.44 63.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.755 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.448 ' CH2' ' CG ' ' B' ' 34' ' ' GLU . 50.5 t90 -59.98 -32.61 71.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.589 ' CD1' HG11 ' A' ' 70' ' ' VAL . 3.7 t-105 -60.35 -31.36 70.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -60.13 -42.9 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.88 -30.56 50.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.448 ' CG ' ' CH2' ' B' ' 30' ' ' TRP . 0.2 OUTLIER -58.32 -36.14 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.939 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -82.58 -30.95 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.84 96.34 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -143.59 166.0 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -138.98 32.2 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ttm -106.4 -66.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.538 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.773 0.321 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.07 90.73 8.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.606 HG12 HG22 ' A' ' 17' ' ' VAL . 5.7 pt -88.15 172.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.511 ' CD1' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.84 101.53 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 0.0 111.172 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.734 HG11 HD12 ' A' ' 69' ' ' LEU . 43.4 t -78.67 108.79 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.657 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HB2' HG23 ' A' ' 12' ' ' THR . 17.5 tttt -97.75 127.46 43.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.006 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.2 p -88.51 161.61 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 70' ' ' VAL . 1.3 mt -59.52 -39.74 84.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 p -61.09 -30.96 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.4 50.39 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.57 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.836 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -130.69 111.55 12.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.511 HG22 ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -109.27 120.22 41.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.466 179.771 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.836 HD11 ' HE2' ' A' ' 11' ' ' LYS . 43.2 mm -121.35 141.06 43.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.476 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.37 110.89 11.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.087 179.212 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.707 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -125.18 123.21 39.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.747 -179.369 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.599 ' N ' HD13 ' A' ' 15' ' ' LEU . 42.1 tp10 -79.54 121.85 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.126 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.993 HG11 HG13 ' A' ' 26' ' ' VAL . 18.0 m -140.34 118.88 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -68.1 145.57 97.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 32.5 Cg_exo -57.46 -46.14 29.54 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.455 2.103 . . . . 0.0 112.219 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -62.32 -35.41 78.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -58.68 146.98 34.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 26' ' ' VAL . 19.7 p -88.5 177.16 6.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.645 HD12 HD23 ' A' ' 50' ' ' LEU . 39.9 mm -60.96 -33.46 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.5 tt0 -58.46 -41.55 85.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.58 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 7.1 t-20 -64.56 -30.92 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.25 0.547 . . . . 0.0 110.349 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.993 HG13 HG11 ' A' ' 17' ' ' VAL . 3.4 t -76.41 -57.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.888 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HE2' HD13 ' A' ' 43' ' ' LEU . 27.4 mmtp -55.99 -24.95 41.92 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.8 -62.14 1.84 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.07 178.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.634 ' HZ3' ' HA ' ' A' ' 17' ' ' VAL . 16.2 mttt -60.69 -43.45 97.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.914 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 5' ' ' VAL . 82.8 mt -62.44 -27.23 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.377 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.88 -40.59 60.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.641 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -84.01 -11.94 56.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.411 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.16 -29.3 13.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.676 0.274 . . . . 0.0 111.178 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -118.62 -37.13 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.319 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.07 29.11 5.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.36 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.82 HD13 ' CD2' ' A' ' 71' ' ' LEU . 28.6 mt -111.66 105.73 56.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 0.0 111.043 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.19 148.41 18.36 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.492 2.128 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.7 -28.17 74.33 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.478 2.119 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.22 27.52 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.085 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.2 -41.15 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.675 ' OE1' HD11 ' A' ' 69' ' ' LEU . 24.0 pt20 -109.8 157.97 18.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.044 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -129.14 132.53 47.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.615 HD13 ' HE2' ' A' ' 27' ' ' LYS . 2.3 tp -99.24 145.13 27.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.3 mt -139.85 134.86 38.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.052 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -141.04 125.99 18.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.52 30.76 17.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.48 25.75 64.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -119.08 139.24 52.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -85.05 107.7 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.645 HD23 HD12 ' A' ' 23' ' ' ILE . 9.3 mp -73.35 76.96 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -59.59 151.69 23.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.15 -30.37 59.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.78 55.3 1.02 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -146.59 170.17 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.332 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 p -116.63 167.3 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.626 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.4 mt -77.21 -42.14 38.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.247 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -55.11 -27.89 48.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.22 -31.91 68.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 66.2 m-85 -95.74 -4.41 44.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.428 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 62.66 60.28 1.34 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.8 mt -99.62 135.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 3' ' ' ILE . 6.8 pt20 -115.61 -177.62 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 144.32 57.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 57.68 29.12 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 3' ' ' ILE . 4.9 m -74.94 127.16 32.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.76 100.97 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.547 HD13 ' CD2' ' A' ' 43' ' ' LEU . 13.7 mt -97.25 118.02 32.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -70.8 126.63 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.042 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.734 HD12 HG11 ' A' ' 5' ' ' VAL . 1.9 tt -105.68 151.98 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.589 HG11 ' CD1' ' B' ' 31' ' ' TRP . 21.4 t -136.83 95.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.046 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.82 ' CD2' HD13 ' A' ' 36' ' ' ILE . 15.7 mt -73.05 122.44 21.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -92.56 149.18 21.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 73' ' ' LEU . 8.1 mp -87.1 178.18 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -162.48 100.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.78 -131.86 5.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.505 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 42.9 p -106.38 -65.62 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -74.78 -45.54 42.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.96 -30.06 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.94 -52.27 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CZ3' ' B' ' 30' ' ' TRP . 46.3 t80 -69.68 -23.69 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.54 -34.96 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.701 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -32.58 70.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.491 ' CZ3' ' CE2' ' B' ' 27' ' ' PHE . 5.2 t90 -59.36 -30.5 68.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.56 ' HE1' HG11 ' A' ' 70' ' ' VAL . 4.1 t-105 -81.02 -30.88 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.792 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -70.86 -29.76 65.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.6 p -70.1 -48.78 56.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -55.88 -30.32 61.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -94.56 -28.64 15.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.65 83.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -96.5 99.35 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -127.74 31.7 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -96.32 -39.13 9.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.481 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 ttt . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.431 ' HB2' HG22 ' A' ' 14' ' ' THR . 14.9 pt20 -105.85 108.68 20.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -93.71 168.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.648 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -120.18 108.0 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.038 0.447 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 69' ' ' LEU . 32.2 t -82.87 105.27 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.97 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.577 ' HB2' HG23 ' A' ' 12' ' ' THR . 5.4 ttpp -93.57 128.87 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.0 p -91.39 166.83 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -58.81 -47.26 85.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.3 p -60.65 -30.8 70.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.18 59.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.598 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.821 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -130.17 101.28 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.964 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.648 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -101.37 108.78 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.821 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.7 mm -111.55 140.68 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.048 0.451 . . . . 0.0 112.145 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.98 110.95 10.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.271 179.492 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD12 HG13 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -127.07 118.51 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.609 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.498 ' N ' HD13 ' A' ' 15' ' ' LEU . 6.2 tm-20 -83.72 131.52 34.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.184 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.972 HG11 HG13 ' A' ' 26' ' ' VAL . 3.9 m -150.91 122.06 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.58 139.66 97.64 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.2 -35.07 90.17 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.36 2.04 . . . . 0.0 112.271 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -33.16 65.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.51 131.78 51.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.1 p -65.49 173.51 2.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.584 HG21 ' O ' ' A' ' 50' ' ' LEU . 35.7 mm -64.33 -31.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.59 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 8.0 tt0 -58.96 -40.56 85.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.063 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 17.3 t-20 -64.4 -30.92 71.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.076 0.465 . . . . 0.0 110.584 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.972 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -76.27 -57.03 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.973 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 9.1 mmtm -57.99 -22.81 51.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -65.61 -57.01 9.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.838 -1.073 . . . . 0.0 109.594 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HB2' HD11 ' A' ' 15' ' ' LEU . 25.4 mttm -63.87 -44.07 94.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.964 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 HG21 ' A' ' 5' ' ' VAL . 67.1 mt -61.7 -32.71 54.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.236 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.74 -56.06 14.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.36 -25.73 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -74.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.258 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -20.17 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.498 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.55 29.74 23.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.194 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.773 HD13 HD22 ' A' ' 71' ' ' LEU . 13.9 mt -123.7 105.11 33.01 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.54 0.209 . . . . 0.0 111.164 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.9 Cg_exo -52.67 151.77 18.4 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.385 2.056 . . . . 0.0 112.272 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.9 Cg_exo -54.4 -46.08 36.15 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.547 2.165 . . . . 0.0 112.321 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -64.7 -30.98 72.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -65.87 -52.47 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.546 ' HB2' HD21 ' A' ' 69' ' ' LEU . 2.7 pp0? -120.31 138.22 53.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.37 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -96.3 -176.37 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.621 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' A' ' 67' ' ' LEU . 6.6 tp -149.67 134.31 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mt -128.19 146.68 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.634 ' CD1' HD23 ' A' ' 67' ' ' LEU . 7.4 t80 -153.84 121.77 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.88 40.65 32.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.23 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.89 24.15 75.74 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . 70.8 mmtt -115.15 140.52 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -91.37 104.29 16.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' HG ' ' A' ' 43' ' ' LEU . 9.8 mp -69.34 70.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.12 153.24 42.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -70.41 65.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.92 39.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -148.36 164.1 35.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.1 p -102.28 147.22 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.623 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.3 mt -59.1 -35.3 73.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.6 t -56.78 -29.25 62.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -35.31 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 29.9 m-85 -88.79 -9.58 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.337 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m120 63.47 63.88 0.85 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.424 HG12 ' CD2' ' A' ' 45' ' ' PHE . 29.8 mt -106.2 100.12 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -77.01 -169.34 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 143.21 46.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 57.54 28.21 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -69.46 133.82 48.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.745 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.36 102.18 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.723 ' HB3' HD11 ' A' ' 43' ' ' LEU . 22.9 mt -94.69 124.83 38.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.642 ' O ' HD12 ' A' ' 43' ' ' LEU . 8.0 m170 -76.97 107.62 9.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.503 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 5' ' ' VAL . 2.4 tt -86.59 147.34 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.56 HG11 ' HE1' ' B' ' 31' ' ' TRP . 24.1 t -130.9 94.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.937 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.773 HD22 HD13 ' A' ' 36' ' ' ILE . 7.5 mt -74.01 122.18 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 118.66 3.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 tp -107.88 138.72 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -75.21 163.42 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.97 -105.27 0.19 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.493 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.821 0.343 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.611 HG22 ' HB2' ' B' ' 26' ' ' ASP . 0.2 OUTLIER -109.8 30.66 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.434 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 0.0 OUTLIER -67.68 -59.46 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -74.23 -20.56 60.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.611 ' HB2' HG22 ' B' ' 23' ' ' THR . 0.6 OUTLIER -53.67 -62.75 1.45 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.098 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' B' ' 24' ' ' GLN . 11.1 p90 -65.46 -28.11 68.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 23.9 tp -58.73 -28.83 66.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.042 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -32.89 63.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.803 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.415 ' CZ3' ' HB2' ' B' ' 34' ' ' GLU . 63.2 t90 -59.96 -28.02 67.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -56.13 -24.04 38.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -56.5 -41.36 76.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.903 0.382 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 2.2 p -86.16 -31.8 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.415 ' HB2' ' CZ3' ' B' ' 30' ' ' TRP . 42.0 tp10 -59.65 -42.24 92.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -72.86 -30.72 64.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -45.38 84.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.33 154.61 38.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -175.76 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ttp -105.04 -35.22 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.291 -1.283 . . . . 0.0 112.423 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HE3' HD22 ' A' ' 56' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -103.51 99.32 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.52 HD13 HD21 ' A' ' 56' ' ' LEU . 19.8 pt -97.32 156.31 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.641 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -105.95 109.16 21.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.972 0.415 . . . . 0.0 111.245 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.577 HG21 HD11 ' A' ' 30' ' ' ILE . 38.9 t -83.79 106.12 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.731 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HB2' HG23 ' A' ' 12' ' ' THR . 8.7 tttt -91.57 139.01 31.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.95 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -103.05 170.77 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.5 OUTLIER -59.68 -48.31 82.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.3 p -59.32 -30.38 68.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.47 42.93 0.61 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.811 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -113.29 107.9 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.641 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -107.62 112.09 24.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.44 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.811 HD11 ' HE2' ' A' ' 11' ' ' LYS . 37.0 mm -113.39 141.71 28.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 112.156 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.47 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -77.81 110.8 13.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.06 179.27 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.884 HD12 HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -122.04 123.84 42.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 -179.383 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.604 ' N ' HD13 ' A' ' 15' ' ' LEU . 3.9 tp10 -81.26 115.26 20.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.379 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.907 HG11 HG13 ' A' ' 26' ' ' VAL . 11.2 m -143.71 118.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.87 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.09 154.47 29.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.26 -31.17 93.03 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.544 2.163 . . . . 0.0 112.053 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -96.86 26.22 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -97.49 113.34 25.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -56.93 157.45 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.018 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 HD23 ' A' ' 50' ' ' LEU . 51.3 mm -55.32 -38.19 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.107 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 3.6 mt-10 -59.52 -42.16 91.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.73 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 31.0 t-20 -66.99 -32.4 73.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.204 0.526 . . . . 0.0 110.415 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.907 HG13 HG11 ' A' ' 17' ' ' VAL . 3.0 t -73.83 -55.51 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.685 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.908 ' CE ' HD22 ' A' ' 43' ' ' LEU . 4.4 mmtm -56.82 -24.97 54.79 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -61.77 -60.25 3.94 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.717 178.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -59.9 -43.2 94.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.989 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.577 HD11 HG21 ' A' ' 5' ' ' VAL . 64.2 mt -62.52 -25.93 39.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.434 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -78.18 -36.75 47.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.754 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -85.18 -13.37 50.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.443 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.56 -33.51 10.96 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.709 0.29 . . . . 0.0 111.254 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.54 -27.59 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.474 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.76 28.94 14.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.169 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.875 HD13 HD21 ' A' ' 71' ' ' LEU . 31.0 mt -113.34 111.95 49.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.543 0.211 . . . . 0.0 111.142 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.9 145.98 38.43 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.396 2.064 . . . . 0.0 112.237 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.9 -37.81 92.89 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.497 2.131 . . . . 0.0 112.373 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.4 -30.58 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -59.12 -30.66 68.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.821 ' OE1' HD11 ' A' ' 69' ' ' LEU . 26.8 pt20 -131.39 162.83 29.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.121 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.16 166.81 14.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.679 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.908 HD22 ' CE ' ' A' ' 27' ' ' LYS . 7.4 tp -133.84 143.8 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.396 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.1 mt -139.6 144.39 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -142.27 123.77 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.77 31.39 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.233 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.09 25.38 62.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.439 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -122.49 113.5 19.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.17 103.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.611 ' CD2' HD23 ' A' ' 43' ' ' LEU . 7.8 mp -59.96 106.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.481 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -58.92 -163.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -96.28 -28.68 14.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.24 52.54 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.586 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -118.06 138.42 52.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.3 p -101.46 145.91 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.032 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.785 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.3 mp -57.75 -38.16 74.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.2 t -55.4 -29.33 58.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.757 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -90.12 -40.32 12.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.681 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -12.44 60.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.218 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 72.73 39.96 0.64 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.778 0.323 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.785 ' HB ' HD23 ' A' ' 56' ' ' LEU . 38.9 mt -93.68 100.4 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.5 -176.95 1.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.75 149.49 43.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 54.15 24.73 5.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -72.34 150.27 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.727 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -90.83 101.78 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.045 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 HD12 ' A' ' 3' ' ' ILE . 16.5 mt -95.72 117.45 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.698 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.533 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.6 m170 -67.09 137.45 56.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.821 HD11 ' OE1' ' A' ' 41' ' ' GLN . 9.1 tt -123.38 138.31 54.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.573 ' N ' HD23 ' A' ' 69' ' ' LEU . 36.0 t -117.69 95.01 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.875 HD21 HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.38 118.24 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.57 79.38 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -95.84 130.85 42.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 mmm-85 -142.81 80.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.59 53.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.544 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 23.4 m -67.03 -29.54 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -58.54 -34.67 71.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -69.24 -30.79 69.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -30.17 26.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -59.28 -33.35 70.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' B' ' 28' ' ' LEU . 10.1 tp -62.1 -52.75 62.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.659 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -31.65 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -59.39 -24.88 63.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.651 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.426 ' CD1' ' HG2' ' B' ' 35' ' ' GLU . 1.9 t90 -93.07 16.97 11.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.272 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -68.18 0.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.5 m -99.7 22.1 11.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.39 -31.46 22.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.426 ' HG2' ' CD1' ' B' ' 31' ' ' TRP . 4.8 mm-40 -66.73 -31.75 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.592 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -73.94 -34.89 64.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -63.41 177.72 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.7 -30.5 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 10.2 mtp 60.54 74.27 0.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.598 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ttt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.846 0.355 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.56 103.48 15.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.76 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 67' ' ' LEU . 13.9 pt -97.09 165.53 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.687 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -113.57 107.83 16.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 111.099 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.748 HG11 HD12 ' A' ' 69' ' ' LEU . 23.2 t -82.22 106.46 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.969 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.545 ' HB2' HG23 ' A' ' 12' ' ' THR . 4.3 tttt -95.83 125.0 40.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 69' ' ' LEU . 34.2 p -88.83 -177.48 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.03 -54.76 42.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.1 p -56.43 -27.6 57.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.73 29.2 2.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.832 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -89.82 101.73 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.687 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -101.14 107.71 19.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.479 179.723 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.832 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.0 mm -111.0 139.49 34.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.017 0.437 . . . . 0.0 111.981 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.481 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.3 110.79 11.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.11 179.394 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.764 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -123.96 124.15 41.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.863 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.627 ' N ' HD13 ' A' ' 15' ' ' LEU . 15.2 tp10 -81.71 123.69 28.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.158 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 5.5 m -148.63 122.84 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.894 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.6 142.84 94.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 52.5 Cg_exo -54.49 -29.89 61.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.496 2.131 . . . . 0.0 112.261 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.3 m -78.86 -30.83 45.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -58.78 139.79 55.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 26' ' ' VAL . 37.7 p -81.49 173.94 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -59.52 -37.63 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.034 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 5.2 tt0 -57.58 -41.44 81.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 15.3 t-20 -66.0 -30.93 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.17 0.51 . . . . 0.0 110.402 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 3.2 t -76.22 -57.01 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.665 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HE3' HD22 ' A' ' 43' ' ' LEU . 9.7 mmtm -56.96 -24.26 51.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.68 -59.73 4.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.732 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.758 ' NZ ' HG12 ' A' ' 17' ' ' VAL . 10.7 mttt -61.76 -44.03 97.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.824 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.404 ' CG1' ' HG ' ' A' ' 15' ' ' LEU . 80.9 mt -61.88 -26.49 40.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.376 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.24 -39.73 53.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.61 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -83.57 -12.06 56.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.308 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -99.4 -28.96 13.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.603 0.239 . . . . 0.0 111.307 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -119.63 -35.87 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.428 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.83 28.46 6.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.255 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.024 HD13 HD21 ' A' ' 71' ' ' LEU . 25.2 mt -107.45 107.13 59.98 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.587 0.232 . . . . 0.0 111.145 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.45 148.1 27.52 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.449 2.099 . . . . 0.0 112.265 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.57 -32.83 84.56 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.545 2.163 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.55 31.25 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.066 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -120.53 -37.37 3.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.589 ' OE1' HD11 ' A' ' 69' ' ' LEU . 24.5 pt20 -112.71 176.5 4.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.39 113.86 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.618 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 69' ' ' LEU . 4.6 tp -90.61 148.99 22.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 70' ' ' VAL . 4.0 mp -143.71 148.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.971 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -166.06 139.83 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.55 40.98 29.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.65 25.98 61.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 16.8 mttp -127.98 130.3 48.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.777 0.323 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -76.75 112.29 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mp -72.04 77.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.771 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.99 157.09 23.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -60.17 143.7 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.3 3.28 72.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -106.91 147.38 29.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 p -91.12 152.84 20.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.157 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.9 mt -66.26 -46.72 76.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.226 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -26.66 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -70.49 -31.21 68.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.674 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 36.0 m-85 -94.37 -16.0 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.22 68.8 0.39 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.923 0.392 . . . . 0.0 110.817 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -107.75 104.43 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' O ' HG22 ' A' ' 3' ' ' ILE . 66.7 mm-40 -72.41 -177.77 2.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 146.67 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 55.81 24.38 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.4 m -69.73 140.23 53.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.752 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.24 100.26 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.987 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.548 HD12 HD12 ' A' ' 3' ' ' ILE . 21.5 mt -91.22 118.01 30.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -69.76 113.31 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.751 ' HA ' HD12 ' A' ' 43' ' ' LEU . 1.7 tt -95.48 142.09 28.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.561 ' N ' HD23 ' A' ' 69' ' ' LEU . 27.7 t -126.81 97.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.024 HD21 HD13 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -77.9 116.68 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.27 159.92 11.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.592 HD22 ' CB ' ' B' ' 36' ' ' ALA . 6.7 tp -66.6 149.66 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -147.49 123.47 10.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.8 -96.65 1.98 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.545 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 16.2 p -107.43 31.07 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.434 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 2.7 pt20 -78.9 -46.75 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.85 -20.41 65.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -54.04 -44.86 71.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' B' ' 24' ' ' GLN . 15.4 p90 -90.03 -29.21 18.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.047 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -58.19 -29.14 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -52.9 -28.39 23.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -58.35 -30.41 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -94.84 -29.55 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -58.1 -31.26 66.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 2.5 p -84.94 -31.19 23.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.7 -35.24 74.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -87.49 -31.34 20.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.93 91.48 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -126.44 165.71 18.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -98.28 34.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 6.2 mtt 60.13 34.34 21.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.36 -1.244 . . . . 0.0 112.474 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.77 0.319 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.437 ' HB2' HG22 ' A' ' 14' ' ' THR . 0.8 OUTLIER -103.14 96.55 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 62' ' ' GLN . 12.3 pt -88.59 165.75 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.773 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.619 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -121.23 115.7 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.039 0.447 . . . . 0.0 111.286 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 30' ' ' ILE . 38.7 t -91.21 104.7 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.657 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.552 ' HB2' HG23 ' A' ' 12' ' ' THR . 6.1 tttp -93.2 132.51 37.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.405 HG22 ' HB3' ' A' ' 69' ' ' LEU . 25.3 p -94.13 157.37 16.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.595 ' CD1' HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -57.92 -28.43 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.1 -29.7 58.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.533 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.88 54.57 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.715 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -132.81 102.14 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -103.56 110.1 22.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.267 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.715 HD11 ' HE3' ' A' ' 11' ' ' LYS . 39.8 mm -111.47 141.05 28.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.494 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.61 110.86 11.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.186 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -124.8 126.68 46.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.605 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.656 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -87.77 129.76 35.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.367 -179.304 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.977 HG11 HG13 ' A' ' 26' ' ' VAL . 5.0 m -153.83 120.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.01 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.02 143.69 83.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.623 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.57 -27.73 15.11 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.44 2.093 . . . . 0.0 112.28 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -88.58 -21.38 24.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.958 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.62 115.59 2.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.659 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -59.91 164.13 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 59' ' ' TYR . 44.9 mm -56.39 -40.88 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -57.87 -41.92 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 16.7 t-20 -64.84 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.129 0.49 . . . . 0.0 110.663 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.977 HG13 HG11 ' A' ' 17' ' ' VAL . 2.4 t -75.94 -58.38 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.9 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.647 ' CE ' HD23 ' A' ' 43' ' ' LEU . 5.6 mmtm -56.1 -25.42 45.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -62.61 -57.84 9.67 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.627 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HB2' HD11 ' A' ' 15' ' ' LEU . 20.3 mttm -62.44 -39.07 92.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.853 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.585 HD11 HG21 ' A' ' 5' ' ' VAL . 64.3 mt -64.71 -27.92 43.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.314 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -73.04 -50.86 20.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.618 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.36 -20.88 62.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.265 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -70.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.259 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.44 -24.14 60.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.507 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.49 27.07 23.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.233 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.717 HD13 HD21 ' A' ' 71' ' ' LEU . 35.0 mt -118.23 113.35 37.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.597 0.237 . . . . 0.0 111.08 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.45 156.96 3.62 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.447 2.098 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.32 52.93 4.49 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.779 2.319 . . . . 0.0 112.431 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -162.56 -44.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.83 -24.23 56.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.994 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.843 ' OE1' HD11 ' A' ' 69' ' ' LEU . 17.7 pt20 -121.28 136.43 54.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -100.01 108.89 21.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.711 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.649 ' HG ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -88.72 126.01 35.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.2 mt -124.53 149.04 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.525 ' HB3' HD11 ' A' ' 50' ' ' LEU . 87.3 t80 -153.32 132.78 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.18 41.16 29.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.39 25.22 66.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -136.15 115.27 12.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -59.87 121.83 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.649 HD22 ' HG ' ' A' ' 43' ' ' LEU . 7.1 mp -60.36 86.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.745 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.91 143.43 45.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -61.73 115.51 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.63 24.02 4.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.564 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -121.62 146.71 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.1 p -103.63 148.38 26.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.797 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.3 mp -56.79 -31.23 64.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -29.16 64.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -90.01 -42.66 11.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 3.4 m-85 -72.2 -10.32 59.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.251 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t30 72.46 30.71 1.9 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.797 ' HB ' HD23 ' A' ' 56' ' ' LEU . 25.1 mt -85.39 100.72 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.877 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.508 ' O ' HG22 ' A' ' 3' ' ' ILE . 64.1 mm-40 -85.34 -172.82 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.63 142.9 54.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 56.42 25.39 9.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -61.52 -178.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.44 99.42 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.505 HD13 HD21 ' A' ' 50' ' ' LEU . 17.1 mt -94.55 121.96 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.749 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -77.97 115.22 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.213 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.843 HD11 ' OE1' ' A' ' 41' ' ' GLN . 8.6 tt -98.49 137.75 36.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.595 HG22 ' CD1' ' A' ' 8' ' ' LEU . 22.0 t -116.3 94.86 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.717 HD21 HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -72.28 113.13 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -84.71 150.04 25.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.25 125.18 22.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtm-85 -60.27 164.72 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.06 117.05 0.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.505 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.786 0.326 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -58.86 -29.45 66.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.409 ' O ' ' CD1' ' B' ' 27' ' ' PHE . 7.1 tt0 -59.32 -48.89 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.951 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -90.06 -24.18 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.65 -17.82 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.404 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' B' ' 24' ' ' GLN . 3.3 p90 -50.85 -36.15 36.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.758 0.313 . . . . 0.0 111.229 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -59.77 -31.74 69.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.92 -31.01 64.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.762 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.427 ' CZ2' ' HG3' ' B' ' 34' ' ' GLU . 28.6 t90 -64.86 -44.36 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.705 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.1 -31.12 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -32.48 70.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.87 -30.89 11.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.427 ' HG3' ' CZ2' ' B' ' 30' ' ' TRP . 2.3 tm-20 -59.44 -31.96 69.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.48 -30.82 14.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.74 37.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -93.1 -67.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -99.84 32.0 3.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 5.7 ttm 60.43 90.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.484 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.708 ' CE ' HD22 ' A' ' 56' ' ' LEU . 9.9 ttt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.803 0.335 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.611 ' HB3' HG22 ' A' ' 14' ' ' THR . 5.4 mt-30 -109.97 95.04 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.515 HG12 HG22 ' A' ' 17' ' ' VAL . 4.0 pt -83.92 139.81 17.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.5 103.82 15.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.074 0.464 . . . . 0.0 111.245 -179.605 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.687 HG21 HD11 ' A' ' 30' ' ' ILE . 46.1 t -77.73 105.75 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.382 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.753 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.9 tttp -103.33 134.3 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.003 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.416 HG22 ' HB3' ' A' ' 69' ' ' LEU . 4.7 p -85.93 -162.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.26 67.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.2 p 53.31 81.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.05 -35.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.406 -0.902 . . . . 0.0 113.032 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.795 ' HE2' HD11 ' A' ' 13' ' ' ILE . 2.1 tptt -150.43 148.65 29.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 111.615 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.753 HG23 ' HB2' ' A' ' 6' ' ' LYS . 1.2 m -147.04 122.28 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.705 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.795 HD11 ' HE2' ' A' ' 11' ' ' LYS . 45.7 mm -123.58 142.86 38.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.862 0.689 . . . . 0.0 112.862 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -79.68 110.88 15.44 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.742 178.695 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -122.49 132.15 54.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.013 -179.018 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.748 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -87.66 129.31 35.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.102 -179.489 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.084 HG11 HG13 ' A' ' 26' ' ' VAL . 5.7 m -154.64 122.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.013 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.32 145.48 67.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 54.1 Cg_exo -51.91 -28.18 30.51 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.48 2.12 . . . . 0.0 112.262 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.515 ' C ' HG22 ' A' ' 55' ' ' THR . 19.4 m -102.56 30.08 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -100.59 118.59 37.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.2 p -59.47 160.76 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.743 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.656 HD12 HD23 ' A' ' 50' ' ' LEU . 45.2 mm -57.54 -36.94 55.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.182 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -59.56 -41.56 90.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.871 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 33.5 t-20 -66.69 -31.11 71.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.231 0.539 . . . . 0.0 110.313 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.084 HG13 HG11 ' A' ' 17' ' ' VAL . 3.1 t -75.39 -56.5 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.611 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.822 ' CE ' HD22 ' A' ' 43' ' ' LEU . 9.4 mmtm -56.79 -25.33 55.28 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -62.42 -58.77 6.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.714 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HB2' HD11 ' A' ' 15' ' ' LEU . 27.7 mttm -60.73 -42.54 97.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.006 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.687 HD11 HG21 ' A' ' 5' ' ' VAL . 65.1 mt -62.42 -29.36 46.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.203 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.74 -40.28 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.476 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -81.82 -14.12 56.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.331 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -97.91 -40.98 8.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -103.52 -29.8 10.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.9 26.21 11.92 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.32 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.439 HD13 HD22 ' A' ' 71' ' ' LEU . 35.2 mt -117.78 127.63 26.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.63 0.252 . . . . 0.0 111.112 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 70.6 Cg_endo -74.82 145.51 32.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.421 2.081 . . . . 0.0 112.187 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.3 Cg_exo -57.77 -27.13 76.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.573 2.182 . . . . 0.0 112.432 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.62 -28.87 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.304 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.404 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 15.8 mm-40 -86.16 -47.34 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.132 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.643 ' HB2' HD21 ' A' ' 69' ' ' LEU . 20.3 pt20 -99.84 138.66 36.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.57 160.42 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.822 HD22 ' CE ' ' A' ' 27' ' ' LYS . 6.3 tp -121.43 147.56 45.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 mt -150.17 145.12 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -161.04 139.72 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.975 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.552 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . . . 57.18 40.07 28.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.34 25.12 62.25 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 12.3 mtmm -126.73 123.56 37.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.89 108.78 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.0 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.656 HD23 HD12 ' A' ' 23' ' ' ILE . 6.7 mp -66.28 77.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.705 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.5 160.24 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -69.94 66.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.52 41.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -133.25 137.21 45.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.515 HG22 ' C ' ' A' ' 20' ' ' SER . 2.9 p -97.44 143.62 27.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.846 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.4 mp -55.39 -30.71 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -30.71 66.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.64 -43.98 12.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 5.5 m-85 -76.22 -6.61 52.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 63.42 41.72 7.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.77 0.319 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.846 ' HB ' HD23 ' A' ' 56' ' ' LEU . 43.6 mt -86.18 99.96 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.933 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -75.15 -176.41 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.149 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -70.75 152.02 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 51.77 26.22 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.11 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -77.14 147.77 36.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.699 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.45 102.36 15.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.931 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.53 HD13 HD21 ' A' ' 43' ' ' LEU . 12.8 mt -94.44 118.52 31.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.486 ' O ' HD12 ' A' ' 43' ' ' LEU . 4.4 m-70 -62.53 131.82 50.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.955 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.677 HD12 HG11 ' A' ' 5' ' ' VAL . 3.8 tt -120.59 145.79 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' N ' HD23 ' A' ' 69' ' ' LEU . 23.6 t -127.1 94.93 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.446 HD23 HD21 ' A' ' 69' ' ' LEU . 11.0 mt -74.17 104.64 5.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -93.56 102.33 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.426 ' HA ' HD12 ' A' ' 73' ' ' LEU . 7.9 tp -90.92 107.36 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -59.91 155.89 15.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.04 -78.43 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.548 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.51 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.874 0.369 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.25 -31.42 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -81.22 -39.18 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.79 -20.45 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.464 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -46.73 -25.77 0.8 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.756 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.413 ' HA ' ' CE3' ' B' ' 30' ' ' TRP . 7.9 p90 -46.57 -29.29 1.74 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.759 0.314 . . . . 0.0 111.36 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.479 ' C ' HD12 ' B' ' 28' ' ' LEU . 4.1 pp -57.55 -29.28 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.061 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -27.64 62.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' B' ' 27' ' ' PHE . 24.9 m-90 -90.07 13.53 14.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.388 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.435 ' CD1' ' HG2' ' B' ' 35' ' ' GLU . 0.6 OUTLIER -94.6 16.91 14.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.657 0.265 . . . . 0.0 111.242 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -73.79 -68.88 0.47 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.834 0.35 . . . . 0.0 111.026 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 18.1 m -100.07 22.08 11.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.275 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.02 -41.53 11.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.435 ' HG2' ' CD1' ' B' ' 31' ' ' TRP . 2.2 mm-40 -60.17 -30.98 69.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.7 -31.73 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 60.56 36.03 19.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -107.88 -35.64 6.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -82.3 -50.08 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.499 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.818 0.342 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -96.3 96.44 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.528 HG12 HG22 ' A' ' 17' ' ' VAL . 5.6 pt -90.8 169.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.662 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -121.04 105.86 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 0.0 111.13 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.681 HG13 HD11 ' A' ' 43' ' ' LEU . 16.9 t -83.85 111.2 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.486 ' HB2' HG23 ' A' ' 12' ' ' THR . 16.1 tttt -97.68 127.02 43.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 p -87.36 -176.07 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.23 -56.67 19.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.6 p -55.9 -26.77 48.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.26 28.14 3.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.846 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -87.11 100.64 12.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.662 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -99.65 108.87 21.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.442 179.618 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.846 HD11 ' HE3' ' A' ' 11' ' ' LYS . 41.9 mm -112.0 141.84 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.992 0.425 . . . . 0.0 112.088 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.484 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.16 110.79 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.069 179.463 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -127.6 129.77 47.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.36 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.726 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.4 tp10 -85.55 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.168 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.037 HG11 HG13 ' A' ' 26' ' ' VAL . 5.6 m -154.04 119.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.976 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.56 145.84 67.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.486 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 29.7 Cg_endo -63.79 -27.88 67.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.427 2.085 . . . . 0.0 112.328 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 p -97.72 37.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -122.99 141.76 51.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.3 p -68.44 171.02 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.679 HD12 HD23 ' A' ' 50' ' ' LEU . 39.0 mm -66.89 -31.05 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 44.5 mt-10 -58.36 -40.98 83.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.561 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 27.4 t-20 -64.01 -30.89 71.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.159 0.504 . . . . 0.0 110.583 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.037 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -76.58 -57.92 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.98 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.764 ' HE2' HD13 ' A' ' 43' ' ' LEU . 5.2 mmtp -56.56 -23.6 41.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.57 -62.37 1.63 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.911 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' HD11 ' A' ' 15' ' ' LEU . 21.6 mttm -59.86 -42.98 94.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.067 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.654 HD11 HG21 ' A' ' 5' ' ' VAL . 78.6 mt -63.1 -29.91 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.307 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -71.6 -39.32 70.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.318 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.03 -14.7 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.245 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -97.19 -27.52 14.51 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.348 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.64 -39.02 2.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.377 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.28 28.9 5.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.388 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.799 HD13 ' CD2' ' A' ' 71' ' ' LEU . 38.8 mt -111.86 108.53 55.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.544 0.212 . . . . 0.0 111.197 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.4 Cg_exo -50.88 152.97 9.18 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.426 2.084 . . . . 0.0 112.363 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 42.9 Cg_exo -56.55 -63.56 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.558 2.172 . . . . 0.0 112.643 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.27 -22.0 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.468 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -39.16 75.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.303 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.597 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.2 pt20 -115.28 163.23 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 111.245 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 -140.41 124.68 17.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.764 HD13 ' HE2' ' A' ' 27' ' ' LYS . 4.0 tp -84.47 152.64 23.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 0.0 110.979 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mt -149.34 135.53 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.97 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -136.07 115.06 12.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.7 30.67 17.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.4 -29.44 10.24 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -61.92 113.86 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.17 101.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.679 HD23 HD12 ' A' ' 23' ' ' ILE . 5.4 mp -75.09 71.14 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.82 165.42 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.016 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -61.52 113.85 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.44 13.18 9.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.673 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 6.9 mmp_? -109.79 137.38 47.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 110.752 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.07 165.56 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.9 mt -87.31 -61.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.234 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -25.63 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.128 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -61.75 -30.78 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.766 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 22.4 m-85 -104.55 18.77 21.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 t30 55.83 76.45 0.28 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.839 0.352 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -119.63 103.29 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -84.41 -169.68 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -78.61 149.02 33.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 55.4 26.77 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -70.23 175.53 4.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.746 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.68 101.51 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD13 ' CD2' ' A' ' 43' ' ' LEU . 16.4 mt -99.91 117.96 35.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -71.19 140.88 50.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' A' ' 41' ' ' GLN . 3.6 tt -120.08 144.77 47.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' N ' HD23 ' A' ' 69' ' ' LEU . 23.6 t -125.91 98.44 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.799 ' CD2' HD13 ' A' ' 36' ' ' ILE . 11.8 mt -78.09 115.04 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -62.51 142.02 58.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 tt -81.68 119.13 23.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -123.8 153.54 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.81 -29.07 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.574 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.777 0.322 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -98.7 30.05 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.418 ' O ' ' CD1' ' B' ' 27' ' ' PHE . 6.3 mt-30 -90.11 -25.81 20.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.477 ' O ' HD12 ' B' ' 28' ' ' LEU . 0.6 OUTLIER -90.02 -28.71 18.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.282 -179.753 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 p30 -65.07 -17.95 64.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.409 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.418 ' CD1' ' O ' ' B' ' 24' ' ' GLN . 0.2 OUTLIER -55.19 -24.99 29.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.737 0.303 . . . . 0.0 111.207 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.919 HD13 ' N ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.75 -26.43 61.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.129 -179.839 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.919 ' N ' HD13 ' B' ' 28' ' ' LEU . 6.8 mttm -57.99 -21.82 46.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -67.42 -14.09 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.283 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -92.48 16.89 10.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.359 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -48.11 35.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 79.0 p -84.81 -29.83 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.43 -32.2 68.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.636 ' OE2' HG13 ' A' ' 70' ' ' VAL . 11.7 mt-10 -84.43 -31.65 24.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.96 77.62 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -101.3 168.2 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -127.63 -45.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 33.8 mtp -90.4 76.82 6.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.445 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.548 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -83.34 94.43 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.697 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 62' ' ' GLN . 5.4 pt -96.61 150.39 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.701 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -99.97 117.25 33.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.006 0.432 . . . . 0.0 111.156 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -93.82 107.81 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.953 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.581 ' HB2' HG23 ' A' ' 12' ' ' THR . 34.6 tttt -93.92 124.96 38.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -87.33 173.18 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -58.44 -48.5 80.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -59.37 -29.1 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.14 45.48 0.68 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -112.87 102.54 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.701 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -98.49 106.67 18.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.342 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 47.0 mm -110.54 140.34 30.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 112.088 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.548 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -76.15 110.88 11.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.14 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.885 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -127.09 121.4 31.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.696 -179.445 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.593 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.3 tm-20 -85.28 120.88 27.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.013 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.003 HG11 HG13 ' A' ' 26' ' ' VAL . 5.9 m -142.4 129.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.162 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.9 154.68 80.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.807 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 33.6 Cg_endo -64.97 -50.72 2.0 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.41 2.074 . . . . 0.0 112.375 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 p -60.28 -29.77 69.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.48 118.11 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 26' ' ' VAL . 72.1 p -60.16 -177.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.448 HD12 HD23 ' A' ' 50' ' ' LEU . 43.8 mm -65.76 -37.13 79.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.6 tp10 -56.72 -42.51 79.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.718 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 10.9 t-20 -64.59 -33.21 75.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.255 0.55 . . . . 0.0 110.507 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.003 HG13 HG11 ' A' ' 17' ' ' VAL . 3.3 t -72.81 -55.59 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.863 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.674 ' HE3' HD13 ' A' ' 43' ' ' LEU . 10.7 mmtm -59.44 -21.74 60.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.43 -60.16 3.72 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.629 178.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' CB ' HD11 ' A' ' 15' ' ' LEU . 1.6 mptp? -60.03 -44.22 94.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.021 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.47 -27.96 43.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.423 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -73.99 -39.32 63.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.572 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -83.56 -13.51 54.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.272 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 -29.58 12.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.713 0.292 . . . . 0.0 111.265 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -116.04 -36.16 4.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.329 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.13 30.38 6.7 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.309 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.076 HD13 HD21 ' A' ' 71' ' ' LEU . 32.8 mt -115.72 112.17 43.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.5 0.19 . . . . 0.0 111.094 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 56.0 Cg_exo -52.12 150.26 19.5 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.456 2.104 . . . . 0.0 112.352 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.5 Cg_exo -57.82 -38.91 90.99 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.58 2.186 . . . . 0.0 112.476 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.24 -29.99 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.079 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.29 -28.82 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.693 ' HB2' HD21 ' A' ' 69' ' ' LEU . 11.2 pt20 -128.94 156.48 43.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.382 . . . . 0.0 111.209 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.83 -176.6 3.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.537 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.885 HD21 HD13 ' A' ' 67' ' ' LEU . 1.2 tp -154.85 138.08 15.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.926 0.393 . . . . 0.0 111.315 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mt -131.34 139.91 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CD1' HD23 ' A' ' 67' ' ' LEU . 24.8 t80 -154.15 136.1 14.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.59 30.67 19.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.4 27.86 73.11 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -128.01 143.16 51.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -84.9 114.18 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.87 HD22 HD23 ' A' ' 43' ' ' LEU . 10.1 mp -73.78 86.8 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.44 156.13 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.44 71.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.95 43.16 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.403 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 3.0 mtt180 -138.18 140.8 39.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -77.71 154.81 31.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.017 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.61 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.6 mt -71.63 -46.18 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 t -52.39 -25.97 11.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.54 -30.82 52.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.831 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 13.0 m-85 -91.81 8.75 35.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.365 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 58.64 35.08 24.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.724 0.297 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.433 HG12 ' CD2' ' A' ' 45' ' ' PHE . 32.6 mt -85.22 98.62 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.493 ' O ' HG22 ' A' ' 3' ' ' ILE . 2.6 mt-30 -80.68 -166.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.759 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 143.6 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 57.01 26.83 12.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.5 m -69.8 -177.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.82 100.05 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.885 HD13 HD21 ' A' ' 43' ' ' LEU . 21.3 mt -92.98 118.94 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -76.94 105.63 8.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.267 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 41' ' ' GLN . 6.0 tt -88.59 146.43 25.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.636 HG13 ' OE2' ' B' ' 35' ' ' GLU . 21.5 t -123.54 94.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 HD13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -69.48 112.67 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -85.49 146.64 26.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.3 162.13 29.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 -95.82 179.68 5.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.44 -91.8 1.75 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.564 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.834 0.349 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -107.64 33.09 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.433 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 7.7 mp0 -67.59 -45.04 76.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -85.56 -21.18 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -53.52 -59.04 5.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' B' ' 24' ' ' GLN . 11.3 p90 -69.25 -29.17 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.981 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 68' ' ' HIS . 28.8 tp -58.25 -27.56 64.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.04 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -54.37 -30.57 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -62.54 -39.07 92.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.709 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.651 ' CD1' HG11 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -59.85 -30.51 69.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.961 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.524 ' HB2' HD22 ' A' ' 8' ' ' LEU . 4.1 ttp85 -59.42 -38.66 81.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -75.89 -31.57 59.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.565 ' OE1' HG12 ' A' ' 70' ' ' VAL . 6.9 mt-10 -94.23 16.23 15.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.266 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.81 83.12 6.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -151.45 118.57 5.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.86 -46.11 11.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 7.2 mtm -61.36 -36.26 79.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.303 -1.276 . . . . 0.0 112.496 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.622 ' HG2' HG23 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.813 0.339 . . . . 0.0 111.176 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 86.83 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.622 HG23 ' HG2' ' A' ' 1' ' ' MET . 10.1 pt -87.85 172.0 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -123.48 101.58 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 110.965 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.727 HG11 HD12 ' A' ' 69' ' ' LEU . 21.6 t -79.14 111.01 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.4 ' HB2' HG23 ' A' ' 12' ' ' THR . 43.6 tttt -95.5 142.44 27.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.3 p -105.11 166.46 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' B' ' 32' ' ' ARG . 0.6 OUTLIER -59.09 -46.16 88.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.3 p -59.61 -29.46 68.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.28 47.99 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.84 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.85 109.83 15.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -109.14 116.83 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 179.679 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.84 HD11 ' HE2' ' A' ' 11' ' ' LYS . 41.0 mm -118.4 142.24 34.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.031 0.443 . . . . 0.0 112.034 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.479 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.27 110.82 11.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.137 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.692 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -126.39 127.01 44.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 -179.39 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.692 ' N ' HD13 ' A' ' 15' ' ' LEU . 46.0 tp10 -86.23 130.15 34.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.042 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 4.2 m -148.74 121.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -59.5 137.08 89.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.0 -27.24 53.55 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.433 2.089 . . . . 0.0 112.31 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 m -98.26 41.18 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -129.81 133.55 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.6 p -63.61 169.48 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 50' ' ' LEU . 43.5 mm -62.19 -30.96 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -59.07 -40.59 85.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.58 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 27.5 t-20 -64.22 -30.91 71.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.196 0.522 . . . . 0.0 110.689 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 2.6 t -76.29 -58.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.88 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.802 ' NZ ' HD22 ' A' ' 43' ' ' LEU . 9.1 mmtm -55.82 -25.04 39.87 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.28 -58.83 5.86 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.568 178.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HB2' HD11 ' A' ' 15' ' ' LEU . 22.4 mttm -61.75 -42.3 98.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.803 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.713 HD11 HG21 ' A' ' 5' ' ' VAL . 66.7 mt -62.5 -28.05 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.21 179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -73.8 -41.69 62.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.483 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.49 -14.19 58.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.227 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.11 -44.47 7.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.757 0.313 . . . . 0.0 111.225 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.88 -33.08 9.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.379 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.68 26.16 7.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.332 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.514 HD13 HD21 ' A' ' 71' ' ' LEU . 49.6 mt -118.0 127.13 26.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.523 0.202 . . . . 0.0 111.228 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 64.3 Cg_endo -73.68 148.43 41.76 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.427 2.085 . . . . 0.0 112.109 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 49.8 Cg_exo -55.38 -21.6 30.35 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.519 2.146 . . . . 0.0 112.621 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -80.44 -30.2 37.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.422 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 28.2 mt-30 -81.75 -29.12 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.191 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.757 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.7 pt20 -124.16 146.58 48.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.975 0.417 . . . . 0.0 111.116 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -118.34 179.79 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.478 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.802 HD22 ' NZ ' ' A' ' 27' ' ' LYS . 5.4 tp -140.71 147.87 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.046 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mt -148.41 144.51 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -163.17 139.44 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.001 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.14 39.71 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.08 25.62 62.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -123.64 140.68 52.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -81.77 112.94 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.0 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 23' ' ' ILE . 6.8 mp -78.93 70.04 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -60.9 160.65 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -70.56 65.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.23 40.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -140.6 141.6 35.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -75.77 173.2 11.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.621 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.5 mt -89.99 -39.08 13.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.174 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 t -58.54 -29.94 66.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -70.71 -30.66 67.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.401 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 26.9 m-85 -94.36 12.8 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.365 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 54.45 40.93 32.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.86 0.362 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.2 mt -88.65 127.46 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 3' ' ' ILE . 5.4 mm-40 -112.12 -169.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.22 141.94 45.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 58.35 27.37 15.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.9 m -80.06 134.79 36.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.781 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.93 104.45 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.512 HD12 ' CD1' ' A' ' 3' ' ' ILE . 12.0 mt -97.53 120.46 37.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.565 ' HB3' HD22 ' B' ' 28' ' ' LEU . 2.4 m-70 -66.18 137.04 56.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 41' ' ' GLN . 3.3 tt -121.28 151.97 39.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.651 HG11 ' CD1' ' B' ' 31' ' ' TRP . 18.4 t -125.13 94.81 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.514 HD21 HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -82.28 107.01 14.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -68.44 139.06 55.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.0 tp -82.26 158.37 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -125.46 -44.56 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.1 -120.94 1.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.516 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.441 -1.2 . . . . 0.0 112.503 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.51 -29.6 14.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -59.48 -59.93 4.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -28.97 68.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.13 -29.38 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.486 ' CE1' ' CZ3' ' B' ' 30' ' ' TRP . 0.1 OUTLIER -56.44 -57.85 10.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.818 HD12 ' HE1' ' B' ' 31' ' ' TRP . 4.4 tp -49.5 -63.38 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.88 0.372 . . . . 0.0 110.844 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -57.13 -21.9 35.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.486 ' CZ3' ' CE1' ' B' ' 27' ' ' PHE . 1.2 t90 -75.16 -59.04 2.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.818 ' HE1' HD12 ' B' ' 28' ' ' LEU . 0.3 OUTLIER -93.0 17.04 11.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.658 -179.645 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -39.92 88.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.782 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.2 p -93.51 -30.27 15.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.939 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -32.28 67.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -100.0 16.21 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.191 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.05 30.61 6.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -107.11 90.33 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.49 -34.14 14.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.57 -34.28 6.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.567 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' CE ' HD22 ' A' ' 56' ' ' LEU . 10.9 ttt . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.854 0.359 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.713 ' HG2' HG22 ' A' ' 14' ' ' THR . 4.0 tt0 -101.33 114.75 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.764 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.456 HG12 HG22 ' A' ' 17' ' ' VAL . 8.3 pt -96.62 171.51 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.561 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -121.42 106.45 11.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.962 0.41 . . . . 0.0 110.975 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.578 HG21 HD11 ' A' ' 30' ' ' ILE . 33.5 t -81.37 107.07 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.66 ' HB2' HG23 ' A' ' 12' ' ' THR . 33.1 tttm -98.83 125.26 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -90.57 162.66 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.445 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -59.48 -40.6 87.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.98 -31.65 71.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.42 63.93 0.35 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.856 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -142.97 104.0 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 111.007 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.66 HG23 ' HB2' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -103.68 109.13 20.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.367 179.708 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.856 HD11 ' HE2' ' A' ' 11' ' ' LYS . 43.7 mm -113.29 141.36 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.979 0.419 . . . . 0.0 112.073 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.713 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -76.59 110.82 11.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.092 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.659 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -126.57 123.77 38.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.773 -179.439 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.621 ' N ' HD13 ' A' ' 15' ' ' LEU . 29.3 tp10 -81.91 131.1 35.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.194 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.128 HG11 HG13 ' A' ' 26' ' ' VAL . 6.1 m -151.47 124.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.962 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.15 146.69 60.1 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.89 -28.41 48.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.486 2.124 . . . . 0.0 112.175 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.47 ' C ' HG22 ' A' ' 55' ' ' THR . 0.7 OUTLIER -104.86 31.35 4.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -98.95 118.05 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 26' ' ' VAL . 32.9 p -59.21 162.86 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.611 HD12 HD23 ' A' ' 50' ' ' LEU . 45.2 mm -58.52 -37.83 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 35.1 mt-10 -58.84 -41.77 87.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.619 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.9 t-20 -66.36 -31.04 71.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.212 0.53 . . . . 0.0 110.403 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.128 HG13 HG11 ' A' ' 17' ' ' VAL . 2.8 t -75.89 -55.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.728 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.684 ' HE2' HD22 ' A' ' 43' ' ' LEU . 7.5 mmtp -58.18 -23.77 56.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.81 -60.52 3.18 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.862 178.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 15' ' ' LEU . 21.2 mttm -59.94 -43.78 94.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.153 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.578 HD11 HG21 ' A' ' 5' ' ' VAL . 81.1 mt -62.23 -30.39 48.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.242 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -71.43 -38.7 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.536 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -83.79 -14.01 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.295 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.83 -28.27 13.93 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.285 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -118.2 -37.82 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.402 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.75 28.92 6.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.347 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.735 HD13 ' CD2' ' A' ' 71' ' ' LEU . 31.1 mt -108.04 116.41 57.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.51 0.195 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 50.4 Cg_exo -55.49 142.24 81.18 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.427 2.085 . . . . 0.0 112.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 35.6 Cg_exo -57.42 -30.87 89.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.471 2.114 . . . . 0.0 112.491 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.08 23.3 6.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.272 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -120.35 -32.83 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.727 ' HB2' HD21 ' A' ' 69' ' ' LEU . 20.9 pt20 -113.56 141.86 46.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.065 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -106.38 152.15 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.684 HD22 ' HE2' ' A' ' 27' ' ' LYS . 5.4 tp -123.18 147.03 47.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.038 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 48' ' ' LYS . 21.4 mt -149.3 142.73 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.035 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -158.25 141.54 15.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 37.93 29.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.2 26.8 68.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 44' ' ' ILE . 12.8 mtmm -126.36 145.34 50.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -83.94 109.44 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 23' ' ' ILE . 4.7 mp -69.19 100.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.45 159.36 16.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.1 115.96 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.81 16.01 7.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.652 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.29 131.11 55.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.47 HG22 ' C ' ' A' ' 20' ' ' SER . 8.0 p -95.03 149.42 21.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.848 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.4 mp -57.89 -30.69 66.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.6 t -59.41 -29.89 68.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.783 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.89 -47.54 10.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.772 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 6.9 m-85 -73.3 -11.5 60.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.314 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 68.93 42.35 1.33 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.848 ' HB ' HD23 ' A' ' 56' ' ' LEU . 45.7 mt -86.39 99.91 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -71.41 -176.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -71.97 149.86 44.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 52.92 25.55 4.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 m -72.82 147.47 45.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.729 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.74 104.54 17.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.568 HD13 HD21 ' A' ' 43' ' ' LEU . 11.8 mt -93.62 119.73 33.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -71.03 119.78 15.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 41' ' ' GLN . 1.9 tt -110.31 152.64 25.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.799 HG21 ' CZ2' ' B' ' 31' ' ' TRP . 25.1 t -137.83 94.92 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.735 ' CD2' HD13 ' A' ' 36' ' ' ILE . 15.1 mt -72.69 124.8 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -93.09 47.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.628 HD13 ' HB3' ' A' ' 71' ' ' LEU . 10.0 mp -80.77 150.47 29.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -149.11 89.24 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.74 121.21 0.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.514 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.82 0.343 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 6.4 t -98.87 33.1 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.623 ' O ' HD11 ' B' ' 28' ' ' LEU . 29.2 pt20 -71.97 -28.02 63.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.46 ' HA ' HD11 ' B' ' 28' ' ' LEU . 16.1 p-10 -90.11 -20.18 23.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.565 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.26 -47.29 7.87 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.731 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 1.8 p90 -41.92 -43.6 3.14 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.707 HD21 ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -52.58 -34.49 50.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 -179.778 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -53.18 -24.51 11.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.661 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 -83.99 -38.27 21.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.643 ' CD1' HG11 ' A' ' 70' ' ' VAL . 1.3 t-105 -58.96 -26.38 64.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -55.82 -46.93 77.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 73.7 p -100.04 -32.63 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.63 -44.05 93.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.414 ' HB2' ' CD1' ' B' ' 31' ' ' TRP . 4.3 tp10 -76.79 -30.5 56.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.15 90.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 59.91 88.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -129.13 -45.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 7.6 ttp -89.81 -38.21 13.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.465 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HG2' HG23 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.78 0.324 . . . . 0.0 111.272 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.01 85.93 4.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.524 HG12 HG22 ' A' ' 17' ' ' VAL . 4.8 pt -91.84 145.02 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -97.48 110.21 22.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.98 0.419 . . . . 0.0 111.193 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.653 HG21 HD11 ' A' ' 30' ' ' ILE . 32.4 t -85.57 110.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.789 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB2' HG23 ' A' ' 12' ' ' THR . 4.3 tttt -97.84 134.75 40.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -101.06 163.05 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.64 ' O ' HD22 ' A' ' 8' ' ' LEU . 1.4 tm? -59.62 -42.51 92.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.6 p -59.35 -29.77 67.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.81 64.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.728 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -145.93 112.22 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.34 . . . . 0.0 110.955 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -109.05 115.14 29.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.46 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.728 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.7 mm -117.31 140.96 38.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.936 0.398 . . . . 0.0 112.02 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.472 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.99 110.89 10.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.108 179.392 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -126.05 127.51 45.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.758 -179.42 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.686 ' N ' HD13 ' A' ' 15' ' ' LEU . 36.3 tp10 -86.02 130.13 34.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.041 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.043 HG11 HG13 ' A' ' 26' ' ' VAL . 5.1 m -151.58 119.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.81 138.77 90.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.81 -26.26 47.03 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.437 2.091 . . . . 0.0 112.283 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.58 39.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -129.31 128.18 42.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.3 p -59.81 174.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.6 HD12 HD23 ' A' ' 50' ' ' LEU . 40.6 mm -66.67 -31.47 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.8 tt0 -59.86 -40.03 87.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.579 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 27.1 t-20 -65.48 -31.4 72.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.195 0.521 . . . . 0.0 110.478 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.043 HG13 HG11 ' A' ' 17' ' ' VAL . 2.6 t -76.44 -56.73 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.752 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.836 ' NZ ' HD22 ' A' ' 43' ' ' LEU . 9.7 mmtm -57.33 -23.73 50.58 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 177.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.2 -60.97 2.57 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.721 178.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HB2' HD11 ' A' ' 15' ' ' LEU . 25.0 mttm -60.52 -42.24 96.03 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.086 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.653 HD11 HG21 ' A' ' 5' ' ' VAL . 72.0 mt -63.58 -28.53 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.284 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.8 -38.44 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.549 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.07 -14.25 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.192 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -97.2 -28.71 13.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.662 0.268 . . . . 0.0 111.287 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.85 -37.35 3.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.427 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.32 29.63 5.95 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.243 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.766 HD13 HD22 ' A' ' 71' ' ' LEU . 35.5 mt -113.2 111.54 50.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.492 0.187 . . . . 0.0 111.198 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 67.6 Cg_exo -51.58 152.51 12.39 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.375 2.05 . . . . 0.0 112.364 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.9 Cg_exo -54.81 -48.79 19.35 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.623 2.215 . . . . 0.0 112.487 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.2 -29.51 61.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -58.98 -30.92 68.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.086 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.537 ' HB2' HD21 ' A' ' 69' ' ' LEU . 21.1 pt20 -128.36 168.15 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.171 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 -133.55 166.05 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.678 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.836 HD22 ' NZ ' ' A' ' 27' ' ' LYS . 6.0 tp -132.72 146.78 52.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.731 HG21 ' CZ ' ' B' ' 27' ' ' PHE . 3.8 mp -142.0 149.11 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.967 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CD1' HD23 ' A' ' 67' ' ' LEU . 5.6 t80 -161.72 129.89 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.43 40.01 29.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.74 24.31 69.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.539 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -121.1 124.52 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.354 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.54 102.83 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.6 HD23 HD12 ' A' ' 23' ' ' ILE . 5.6 mp -64.98 79.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.674 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.78 158.25 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -63.63 113.52 3.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.14 21.2 6.0 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.571 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -116.47 134.03 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.409 ' C ' HD23 ' A' ' 56' ' ' LEU . 2.0 p -72.45 171.58 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.64 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.4 mt -89.96 -36.7 14.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -57.91 -29.45 65.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -63.63 -31.18 72.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -101.78 9.67 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.36 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 m120 55.68 43.36 28.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.349 . . . . 0.0 111.029 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.429 HG12 ' CD2' ' A' ' 45' ' ' PHE . 26.5 mt -78.7 114.49 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.191 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.429 ' O ' HG22 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -94.18 -168.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.83 148.73 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 55.51 26.01 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.9 m -75.22 -175.59 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.761 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.98 99.47 6.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 45' ' ' PHE . 12.2 mt -92.04 119.08 31.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.707 ' CG ' HD21 ' B' ' 28' ' ' LEU . 61.3 m-70 -66.4 138.46 57.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.583 HD12 HG11 ' A' ' 5' ' ' VAL . 2.6 tt -127.47 148.8 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' B' ' 31' ' ' TRP . 21.5 t -129.02 98.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.766 HD22 HD13 ' A' ' 36' ' ' ILE . 19.2 mt -80.76 116.83 20.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -75.27 97.85 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 74' ' ' ARG . 1.3 tt -141.04 137.9 33.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.56 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -87.76 -169.94 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.82 -39.58 2.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.472 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 p30 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.349 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 62.5 p -77.27 -32.96 55.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.431 ' HA ' ' CZ ' ' B' ' 27' ' ' PHE . 18.5 pt20 -84.09 -46.78 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.71 -25.14 64.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.93 -69.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.096 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 28' ' ' LEU . 10.8 p90 -72.49 -29.77 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.047 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 25.6 tp -59.91 -28.81 67.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -55.59 -29.91 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.41 ' CH2' ' HG3' ' B' ' 34' ' ' GLU . 10.2 t90 -78.33 -31.38 48.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.535 ' CD1' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -69.4 -46.93 65.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.913 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -59.64 -31.01 69.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 57.6 p -76.9 -36.25 56.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.41 ' HG3' ' CH2' ' B' ' 30' ' ' TRP . 0.6 OUTLIER -59.34 -34.63 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -77.49 -29.5 52.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.23 -54.37 47.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 60.4 175.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -163.92 31.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.1 ptp -176.83 71.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.47 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.555 ' HG2' HG23 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.841 0.353 . . . . 0.0 111.146 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.457 ' HB3' HG22 ' A' ' 14' ' ' THR . 4.5 mt-30 -81.42 85.43 6.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 62' ' ' GLN . 4.6 pt -86.78 142.69 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.656 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -93.49 108.37 20.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.969 0.414 . . . . 0.0 111.202 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.6 HG21 HD11 ' A' ' 30' ' ' ILE . 30.1 t -83.73 105.17 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.574 ' HB2' HG23 ' A' ' 12' ' ' THR . 7.1 tttt -93.51 129.47 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -93.38 166.87 12.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -59.14 -46.5 88.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.7 p -60.31 -30.19 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.11 55.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.775 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -127.85 101.53 6.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.656 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -102.35 106.64 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.514 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.775 HD11 ' HE3' ' A' ' 11' ' ' LYS . 45.9 mm -112.43 138.6 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 112.016 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.461 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -74.57 110.86 9.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.056 179.284 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.694 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -125.43 126.78 45.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.837 -179.337 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.676 ' N ' HD13 ' A' ' 15' ' ' LEU . 44.8 tp10 -84.95 130.65 34.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.937 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.103 HG11 HG13 ' A' ' 26' ' ' VAL . 4.6 m -150.32 120.89 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.04 141.43 90.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.19 -34.73 88.99 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.411 2.074 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.586 ' O ' HG22 ' A' ' 55' ' ' THR . 0.3 OUTLIER -74.23 -32.47 63.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -59.44 136.88 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.1 p -78.57 -175.59 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.617 HD12 HD23 ' A' ' 50' ' ' LEU . 37.9 mm -65.19 -35.46 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.7 tp10 -57.67 -41.37 81.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.565 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 2.3 t-20 -65.02 -30.89 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.123 0.487 . . . . 0.0 110.41 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.103 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -77.29 -56.66 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.856 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HE2' HD13 ' A' ' 43' ' ' LEU . 25.7 mmtp -56.44 -24.76 47.46 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.25 -61.35 2.3 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.951 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HB2' HD11 ' A' ' 15' ' ' LEU . 20.2 mttm -60.32 -43.39 96.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.044 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.6 HD11 HG21 ' A' ' 5' ' ' VAL . 76.5 mt -62.68 -29.23 46.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.333 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -39.83 67.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.56 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.75 -13.15 54.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.259 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 -28.67 13.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.25 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -118.67 -37.29 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.392 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.24 31.08 5.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.242 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.74 HD13 HD22 ' A' ' 71' ' ' LEU . 35.4 mt -117.15 107.08 46.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.546 0.212 . . . . 0.0 111.197 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -51.03 154.73 6.94 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.442 2.095 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.26 -62.9 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 112.482 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -59.65 -28.71 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -60.26 -37.09 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.191 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.3 pt20 -120.65 174.8 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 111.187 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.52 164.49 27.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.684 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.675 HD13 ' HE2' ' A' ' 27' ' ' LYS . 2.9 tp -136.79 143.52 43.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.123 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -140.85 142.0 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.43 ' CD2' HG12 ' A' ' 61' ' ' ILE . 33.4 t80 -159.32 137.66 10.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.95 39.08 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.22 26.61 64.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.498 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -125.79 146.2 49.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -83.98 118.29 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.617 HD23 HD12 ' A' ' 23' ' ' ILE . 6.5 mp -83.61 75.68 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.38 159.28 31.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -70.48 66.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.58 40.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -143.15 142.69 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 20' ' ' SER . 1.3 p -76.02 175.18 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.3 mt -89.93 -38.03 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.194 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.5 t -57.5 -30.1 64.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -71.87 -30.77 65.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 30.4 m-85 -93.3 4.12 54.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.438 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.3 m120 59.12 41.84 19.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.815 0.34 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.43 HG12 ' CD2' ' A' ' 45' ' ' PHE . 25.1 mt -87.01 118.61 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.586 ' O ' HG22 ' A' ' 3' ' ' ILE . 84.9 mm-40 -102.25 -177.79 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.89 143.37 55.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 58.23 26.65 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.9 m -72.95 150.52 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.06 101.44 13.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 3' ' ' ILE . 15.1 mt -92.55 121.3 33.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.673 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -75.09 113.11 12.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.6 tt -100.03 149.03 23.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.535 HG11 ' CD1' ' B' ' 31' ' ' TRP . 22.0 t -134.38 97.55 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.74 HD22 HD13 ' A' ' 36' ' ' ILE . 12.9 mt -74.91 116.81 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -79.01 92.64 4.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.62 131.65 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.84 -56.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 149.61 -173.46 29.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.52 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.905 0.383 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -109.97 -42.84 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -59.81 -48.03 83.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.66 -20.46 65.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -53.95 -63.49 1.13 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.179 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -61.74 -27.02 68.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.126 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 tp -57.5 -31.64 66.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.045 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -30.97 63.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.794 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.424 ' CZ2' ' HG3' ' B' ' 34' ' ' GLU . 30.2 t90 -62.96 -26.85 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.738 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.422 ' CZ2' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -93.13 16.98 11.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.294 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -89.18 -41.17 12.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -100.07 -28.03 13.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.424 ' HG3' ' CZ2' ' B' ' 30' ' ' TRP . 1.1 tm-20 -56.44 -29.38 61.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.43 ' OE2' HG13 ' A' ' 70' ' ' VAL . 16.8 mt-10 -58.77 -29.71 66.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.91 67.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.9 119.33 7.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -91.6 -62.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.6 -67.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.504 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.629 ' CE ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.91 0.386 . . . . 0.0 111.181 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.43 87.47 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.781 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.0 pt -92.12 144.7 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.797 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.4 OUTLIER -96.34 108.63 21.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.046 0.451 . . . . 0.0 111.229 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 30' ' ' ILE . 22.5 t -85.25 112.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.764 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HB2' HG23 ' A' ' 12' ' ' THR . 32.4 tttt -94.5 140.41 29.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.6 p -104.23 168.75 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -58.85 -48.14 82.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -29.46 66.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.5 46.26 0.63 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.549 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.725 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -117.97 112.19 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -108.97 115.95 31.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.559 179.733 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.725 HD11 ' HE2' ' A' ' 11' ' ' LYS . 44.2 mm -118.38 142.37 33.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 112.087 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.454 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.71 110.92 11.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.356 179.372 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD12 HG13 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -127.78 116.43 20.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.542 -179.554 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' N ' HD13 ' A' ' 15' ' ' LEU . 11.9 tm-20 -89.52 123.63 33.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.113 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.876 HG11 HG13 ' A' ' 26' ' ' VAL . 16.6 m -141.38 133.5 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.005 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.74 143.63 98.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.97 -47.5 20.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.376 2.05 . . . . 0.0 112.25 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.707 ' O ' HG22 ' A' ' 55' ' ' THR . 1.6 p -58.63 -34.44 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.002 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.65 123.55 16.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 26' ' ' VAL . 23.8 p -59.12 178.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.449 HD11 ' CE2' ' A' ' 59' ' ' TYR . 42.0 mm -64.44 -36.14 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 17.7 tt0 -58.62 -40.48 83.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.725 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 14.9 t-20 -64.44 -33.93 77.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.23 0.538 . . . . 0.0 110.591 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.876 HG13 HG11 ' A' ' 17' ' ' VAL . 2.9 t -71.44 -57.48 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.997 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.697 ' CE ' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -58.99 -22.2 60.15 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.309 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -61.9 -59.48 5.06 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.655 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.545 ' CE ' HG12 ' A' ' 17' ' ' VAL . 1.6 mptp? -60.05 -41.71 92.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.984 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 5' ' ' VAL . 68.8 mt -64.02 -25.45 38.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.563 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.89 -39.1 44.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.634 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.49 -15.07 53.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.59 -32.43 12.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.703 0.287 . . . . 0.0 111.432 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.23 -36.65 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.509 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.19 29.15 6.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.384 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.735 HD13 HD22 ' A' ' 71' ' ' LEU . 27.0 mt -115.48 110.96 44.39 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.555 0.217 . . . . 0.0 111.169 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.57 146.36 34.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.415 2.077 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.21 -35.09 95.0 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.451 2.101 . . . . 0.0 112.401 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -80.78 -31.24 35.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.04 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -29.14 68.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.622 ' HB2' HD21 ' A' ' 69' ' ' LEU . 9.0 pt20 -126.41 138.16 53.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' CD ' ' CZ2' ' B' ' 31' ' ' TRP . 28.6 mtt85 -99.32 168.44 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.672 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.697 HD23 ' CE ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -139.47 124.72 18.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 70' ' ' VAL . 2.6 mp -122.52 142.65 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CD2' HG12 ' A' ' 61' ' ' ILE . 59.2 t80 -149.76 126.06 10.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . . . 57.03 31.29 19.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.84 26.0 70.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 12.9 mtmm -122.77 139.71 53.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -85.15 108.55 17.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.558 HD22 ' HG ' ' A' ' 43' ' ' LEU . 8.6 mp -64.53 81.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.6 145.2 40.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.89 74.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.36 43.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -140.8 142.18 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.804 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 20' ' ' SER . 69.2 p -80.61 146.91 30.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.629 HD12 ' CE ' ' A' ' 1' ' ' MET . 1.5 mt -58.22 -30.33 66.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -58.09 -30.63 66.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.23 -41.48 76.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.725 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CE2' HD11 ' A' ' 23' ' ' ILE . 47.5 m-85 -85.7 -14.42 45.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 m120 66.61 54.32 0.86 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.448 ' O ' ' HE3' ' A' ' 1' ' ' MET . 22.3 mt -91.84 97.24 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -60.15 -169.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.98 147.54 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 58.18 24.24 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.68 -170.2 1.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.534 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -125.05 98.65 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.537 HD22 HD11 ' A' ' 43' ' ' LEU . 6.7 mt -82.95 138.33 33.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.575 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -89.24 103.34 15.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.335 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.622 HD21 ' HB2' ' A' ' 41' ' ' GLN . 2.0 tt -90.19 153.57 20.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.801 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.556 ' N ' HD23 ' A' ' 69' ' ' LEU . 19.5 t -133.87 94.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.735 HD22 HD13 ' A' ' 36' ' ' ILE . 50.1 mt -73.96 113.28 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 150.42 39.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.0 tp -76.01 111.21 11.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -40.58 3.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.72 31.6 4.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.52 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.83 0.348 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 30.5 p -106.13 -35.31 7.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -60.05 -32.41 70.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -81.89 -31.23 31.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.79 -35.58 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.06 -29.19 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' B' ' 28' ' ' LEU . 10.7 tp -61.84 -51.67 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.663 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -60.83 -32.1 71.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.601 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -59.87 -27.35 66.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.639 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -93.37 16.97 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.252 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 mmm-85 -71.11 -70.03 0.34 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -97.07 22.11 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.06 -38.43 36.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -84.28 -31.57 24.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 90.2 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -85.18 89.22 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.49 70.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 2.5 ttm 59.93 34.04 21.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.478 -179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -82.43 89.51 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.524 ' CD1' HD12 ' A' ' 67' ' ' LEU . 8.9 pt -88.29 172.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.36 101.42 7.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.0 111.081 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 69' ' ' LEU . 22.3 t -77.36 112.09 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.45 ' HB2' HG23 ' A' ' 12' ' ' THR . 21.6 tttt -100.0 135.5 41.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.998 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 p -99.06 172.79 7.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -67.32 -47.51 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -57.46 -28.7 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.78 69.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.425 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.826 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -146.83 110.08 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.994 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.573 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -109.13 114.73 28.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.542 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.826 HD11 ' HE2' ' A' ' 11' ' ' LYS . 41.5 mm -116.52 141.62 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.065 0.46 . . . . 0.0 111.984 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.81 110.83 10.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.289 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -127.0 126.2 42.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.756 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.667 ' N ' HD13 ' A' ' 15' ' ' LEU . 13.1 tm-20 -85.2 130.9 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.144 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.029 HG11 HG13 ' A' ' 26' ' ' VAL . 4.8 m -148.13 119.87 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.037 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.94 141.73 89.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.36 -33.47 96.26 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.351 2.034 . . . . 0.0 112.245 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -92.91 47.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.993 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -132.65 148.2 52.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.4 p -81.89 170.4 15.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.487 HD11 ' HG ' ' A' ' 50' ' ' LEU . 37.9 mm -61.62 -32.52 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.576 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 4.5 tm-20 -58.92 -40.78 85.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.591 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 3.1 t-20 -65.51 -30.96 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.194 0.521 . . . . 0.0 110.462 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.029 HG13 HG11 ' A' ' 17' ' ' VAL . 2.8 t -76.53 -56.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.77 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HE2' HD13 ' A' ' 43' ' ' LEU . 26.7 mmtp -57.15 -24.05 51.61 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 177.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.91 -61.46 2.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.905 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' A' ' 15' ' ' LEU . 19.5 mttm -59.94 -43.59 94.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.07 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 5' ' ' VAL . 76.6 mt -63.04 -28.34 44.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.428 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -73.16 -39.58 65.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.507 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -82.92 -14.49 54.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.224 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.0 -27.98 14.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.376 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -119.08 -39.33 2.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.359 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.79 28.09 5.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.429 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.759 HD13 HD22 ' A' ' 71' ' ' LEU . 37.0 mt -110.37 108.82 58.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.556 0.217 . . . . 0.0 111.154 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 57.7 Cg_exo -51.94 149.06 21.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.541 2.161 . . . . 0.0 112.36 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.4 Cg_exo -57.92 -30.69 90.56 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.54 2.16 . . . . 0.0 112.417 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -95.7 23.88 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -118.24 -31.8 4.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.583 ' HB2' HD21 ' A' ' 69' ' ' LEU . 23.4 pt20 -121.47 166.18 14.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.037 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -128.16 163.47 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.687 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.64 HD13 ' HE2' ' A' ' 27' ' ' LYS . 5.2 tp -132.6 144.56 50.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.067 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.486 ' CD1' HG23 ' A' ' 70' ' ' VAL . 3.5 mp -140.71 146.36 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.455 ' CD1' HD23 ' A' ' 67' ' ' LEU . 5.5 t80 -160.33 133.38 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.08 33.12 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.95 21.79 78.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.628 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -116.27 142.22 47.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -85.15 101.36 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.487 ' HG ' HD11 ' A' ' 23' ' ' ILE . 6.0 mp -67.44 79.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.77 159.89 28.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.95 116.28 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.85 16.69 9.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.63 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -110.77 132.22 54.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 110.789 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.38 168.55 18.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.034 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.632 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.3 mt -86.12 -41.43 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -57.2 -29.17 63.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.52 -31.07 70.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 40.1 m-85 -98.11 10.09 41.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.382 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 56.47 42.31 27.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.825 0.345 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.429 HG12 ' CD2' ' A' ' 45' ' ' PHE . 27.9 mt -82.65 128.48 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' HG22 ' A' ' 3' ' ' ILE . 29.3 mt-30 -112.17 -168.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -77.82 141.54 39.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 58.89 27.93 16.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.512 ' H ' HG22 ' A' ' 3' ' ' ILE . 45.1 m -80.09 137.39 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.673 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.14 105.56 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.524 HD12 ' CD1' ' A' ' 3' ' ' ILE . 10.9 mt -97.55 120.77 38.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.477 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.2 m-70 -68.14 137.39 54.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 5' ' ' VAL . 1.8 tt -126.09 151.05 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.603 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.4 t -135.85 94.94 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.759 HD22 HD13 ' A' ' 36' ' ' ILE . 6.5 mt -77.61 120.89 23.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.72 -177.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.3 136.19 57.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -73.22 173.39 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.7 110.71 1.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.468 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.506 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.844 0.354 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.407 ' O ' ' CD2' ' B' ' 27' ' ' PHE . 9.1 t -109.98 33.17 4.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.43 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 3.5 pt20 -81.55 -35.07 30.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.98 -23.26 21.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -54.89 -70.1 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.083 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' B' ' 24' ' ' GLN . 15.0 p90 -60.02 -30.12 68.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.434 HD22 ' ND1' ' A' ' 68' ' ' HIS . 25.9 tp -58.8 -27.84 65.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -54.76 -30.86 57.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.449 ' CH2' ' CG ' ' B' ' 34' ' ' GLU . 40.2 t90 -65.54 -36.74 84.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.703 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.838 ' CZ2' HG11 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -60.21 -27.32 67.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -56.45 -30.71 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.56 -31.05 15.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.968 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.449 ' CG ' ' CH2' ' B' ' 30' ' ' TRP . 6.0 tm-20 -59.26 -36.31 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.98 -30.45 21.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.33 53.99 2.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -154.8 94.45 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -176.33 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 1.9 mpp? 60.84 59.71 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.487 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.863 0.363 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.402 ' HB3' HG22 ' A' ' 14' ' ' THR . 7.5 mt-30 -84.55 84.13 7.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.494 HG12 HG22 ' A' ' 17' ' ' VAL . 4.4 pt -86.04 142.16 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.674 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -100.03 106.55 18.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.969 0.414 . . . . 0.0 111.148 -179.802 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.704 HG11 HD12 ' A' ' 69' ' ' LEU . 22.1 t -81.29 105.67 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HB2' HG23 ' A' ' 12' ' ' THR . 2.2 tttt -95.86 123.21 39.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 69' ' ' LEU . 27.6 p -87.89 175.84 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.638 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -59.59 -50.98 71.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -57.76 -28.11 63.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.48 41.51 0.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.83 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -105.99 100.15 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.938 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.674 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -100.51 106.35 17.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.512 179.612 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.83 HD11 ' HE3' ' A' ' 11' ' ' LYS . 44.9 mm -111.71 139.95 33.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.461 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.92 110.94 10.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.117 179.337 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -125.75 132.13 52.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 -179.354 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.763 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -89.5 130.06 35.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.087 -179.576 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 5.3 m -154.34 119.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.911 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -60.33 139.89 91.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.99 -27.21 62.79 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.414 2.076 . . . . 0.0 112.311 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.7 m -96.47 39.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -127.68 133.93 49.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.802 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.4 p -64.33 170.94 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.476 HD11 ' HG ' ' A' ' 50' ' ' LEU . 40.6 mm -63.71 -31.13 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 5.1 tt0 -58.7 -40.88 84.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.569 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 28.4 t-20 -64.5 -31.05 72.1 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.12 0.486 . . . . 0.0 110.423 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 2.6 t -76.9 -57.28 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.896 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.752 ' HE2' HD13 ' A' ' 43' ' ' LEU . 24.6 mmtp -56.35 -24.26 42.88 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.2 -61.84 1.99 Allowed 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.938 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HB2' HD11 ' A' ' 15' ' ' LEU . 22.5 mttm -59.82 -43.01 94.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.045 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.1 -29.05 46.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.335 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.72 -39.15 67.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.496 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -83.37 -14.55 52.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.29 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -98.52 -28.99 13.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.767 0.318 . . . . 0.0 111.374 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -116.87 -36.72 3.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.407 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.41 26.41 7.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.396 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.66 HD13 HD21 ' A' ' 71' ' ' LEU . 30.9 mt -110.9 103.96 55.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.567 0.222 . . . . 0.0 111.125 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.93 149.56 14.56 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.477 2.118 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.55 -28.96 76.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.582 2.188 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -97.04 27.27 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -123.08 -38.34 2.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.688 ' HB2' HD21 ' A' ' 69' ' ' LEU . 22.9 pt20 -115.01 164.79 13.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.129 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -124.45 162.72 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.688 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.752 HD13 ' HE2' ' A' ' 27' ' ' LYS . 2.5 tp -134.33 137.23 44.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.2 mt -136.29 137.79 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CD1' HD23 ' A' ' 67' ' ' LEU . 46.7 t80 -153.59 131.82 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.3 43.28 26.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 24.55 58.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -120.24 140.61 50.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.796 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -84.07 107.26 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' HG ' HD11 ' A' ' 23' ' ' ILE . 6.0 mp -72.2 76.52 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.781 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -73.77 158.53 34.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.1 113.73 3.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.61 19.23 6.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.666 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -116.25 136.15 53.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' HD23 ' A' ' 56' ' ' LEU . 2.4 p -73.8 172.48 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.642 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.3 mt -89.98 -36.73 14.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -57.64 -30.19 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.61 -30.92 71.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -98.77 2.74 47.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.414 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 58.78 51.2 7.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -88.29 103.93 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -83.25 -170.41 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 145.65 31.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 56.18 26.42 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.008 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 m -70.59 -175.97 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.767 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.1 104.79 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.999 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 67' ' ' LEU . 13.3 mt -94.72 119.1 32.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.434 ' ND1' HD22 ' B' ' 28' ' ' LEU . 56.4 m170 -71.04 113.11 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.704 HD12 HG11 ' A' ' 5' ' ' VAL . 1.8 tt -100.91 144.27 30.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.838 HG11 ' CZ2' ' B' ' 31' ' ' TRP . 38.4 t -134.57 98.65 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.06 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.66 HD21 HD13 ' A' ' 36' ' ' ILE . 2.5 mm? -70.03 118.28 12.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.77 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -59.17 164.41 3.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.15 126.57 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 60.68 157.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.27 37.3 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.473 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.552 HG22 ' H ' ' A' ' 65' ' ' SER . 8.6 pt -97.51 171.35 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.634 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -119.97 107.43 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.049 0.452 . . . . 0.0 111.07 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.668 HG13 HD11 ' A' ' 43' ' ' LEU . 24.6 t -82.56 106.64 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.572 ' HB2' HG23 ' A' ' 12' ' ' THR . 19.7 tttt -95.91 128.6 42.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 69' ' ' LEU . 30.3 p -92.52 169.49 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -58.69 -46.33 87.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.6 p -59.62 -29.66 68.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.35 46.97 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.765 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -117.2 102.03 8.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.634 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -102.38 108.28 19.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.424 179.588 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.765 HD11 ' HE3' ' A' ' 11' ' ' LYS . 43.7 mm -112.06 141.44 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.015 0.436 . . . . 0.0 112.059 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.479 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.12 110.88 10.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.184 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.673 HD12 HG13 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -127.57 122.3 32.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.763 -179.486 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.57 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -82.82 130.72 35.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.024 -179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.048 HG11 HG13 ' A' ' 26' ' ' VAL . 4.5 m -152.82 128.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.189 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.39 147.67 98.18 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 17.9 Cg_endo -60.33 -40.79 55.49 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.421 2.081 . . . . 0.0 112.214 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -30.95 69.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.35 126.3 26.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.7 p -64.2 173.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.498 HD12 HD23 ' A' ' 50' ' ' LEU . 44.5 mm -62.63 -33.0 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 13.3 mt-10 -57.98 -40.91 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 18.6 t-20 -64.89 -30.9 71.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.148 0.499 . . . . 0.0 110.516 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.048 HG13 HG11 ' A' ' 17' ' ' VAL . 2.8 t -76.68 -57.51 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.844 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.754 ' HE3' HD13 ' A' ' 43' ' ' LEU . 11.9 mmtm -56.23 -24.55 43.01 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -63.79 -60.31 3.46 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.691 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -61.18 -43.18 99.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.915 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.532 HD11 HG21 ' A' ' 5' ' ' VAL . 79.2 mt -62.73 -26.58 41.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.316 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.26 -37.77 57.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.465 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -83.97 -13.67 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.327 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.79 -29.49 13.33 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.759 0.314 . . . . 0.0 111.284 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -117.27 -36.74 3.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.34 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.9 27.69 6.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.324 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.789 HD13 ' CD2' ' A' ' 71' ' ' LEU . 25.8 mt -107.97 112.52 61.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.515 0.198 . . . . 0.0 111.117 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 57.1 Cg_exo -51.99 146.82 28.17 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.421 2.081 . . . . 0.0 112.314 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 42.4 Cg_exo -56.66 -35.71 97.61 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.544 2.163 . . . . 0.0 112.443 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.75 23.17 6.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.2 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -116.64 -27.68 6.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.6 ' OE1' HD11 ' A' ' 69' ' ' LEU . 27.3 pt20 -121.84 131.19 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.074 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -102.51 127.26 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.611 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.881 ' CD2' HD13 ' A' ' 67' ' ' LEU . 1.1 tp -103.75 144.1 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 111.256 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.36 149.78 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.441 ' CD1' HD23 ' A' ' 67' ' ' LEU . 8.1 t80 -157.79 132.55 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.47 30.55 18.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.01 26.82 71.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -124.85 135.33 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 109.02 14.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.872 HD22 HD23 ' A' ' 43' ' ' LEU . 8.1 mp -66.25 101.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.86 152.7 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.38 -30.18 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.04 53.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -137.19 150.9 48.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 p -87.91 174.79 8.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.579 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.8 mt -89.97 -47.39 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.302 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.6 t -51.96 -26.04 9.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -31.07 71.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.758 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -100.78 11.03 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 58.53 43.74 18.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 45' ' ' PHE . 26.2 mt -84.14 104.82 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.434 ' O ' HG22 ' A' ' 3' ' ' ILE . 46.5 mt-30 -91.54 -168.67 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 144.76 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 56.23 25.4 9.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.02 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.552 ' H ' HG22 ' A' ' 3' ' ' ILE . 72.1 m -70.83 139.81 51.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.697 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.4 98.77 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.881 HD13 ' CD2' ' A' ' 43' ' ' LEU . 13.1 mt -91.12 120.1 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.592 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 14.4 m170 -71.26 128.48 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.929 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.6 HD11 ' OE1' ' A' ' 41' ' ' GLN . 2.6 tt -114.39 149.66 35.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.648 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.8 t -132.1 95.04 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.789 ' CD2' HD13 ' A' ' 36' ' ' ILE . 44.3 mt -70.78 114.94 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 ttm-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.616 ' HB3' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.823 0.344 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.43 HG12 HG22 ' A' ' 17' ' ' VAL . 5.8 pt -85.06 139.17 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.649 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -97.89 107.02 19.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.176 -179.701 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.602 HG21 HD11 ' A' ' 30' ' ' ILE . 22.5 t -83.47 109.03 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.896 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.65 ' HB2' HG23 ' A' ' 12' ' ' THR . 30.8 tttt -98.84 121.9 41.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -88.45 168.12 12.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -59.71 -49.41 77.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -55.98 -27.33 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.01 68.03 0.56 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.406 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.845 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -142.07 103.46 4.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -102.08 106.5 17.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.366 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.845 HD11 ' HE3' ' A' ' 11' ' ' LYS . 39.9 mm -111.75 140.13 32.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.616 HG22 ' HB3' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -76.52 110.78 11.35 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.046 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -122.52 127.73 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 -179.295 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.684 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -87.41 130.59 34.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.14 -179.535 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.013 HG11 HG13 ' A' ' 26' ' ' VAL . 4.4 m -152.84 123.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.89 145.68 88.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.679 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 27.0 Cg_endo -62.82 -26.48 74.79 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.506 2.137 . . . . 0.0 112.244 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.5 m -96.32 40.42 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -127.72 140.62 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 p -70.39 164.59 24.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -60.1 -33.05 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 5.4 tm-20 -59.1 -40.66 86.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 2.4 t30 -64.87 -31.03 72.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.167 0.508 . . . . 0.0 110.582 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.013 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -75.49 -58.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.909 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.619 ' HE3' HD13 ' A' ' 43' ' ' LEU . 9.6 mmtm -56.58 -24.7 49.17 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -62.94 -57.72 9.79 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.541 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HB2' HD11 ' A' ' 15' ' ' LEU . 14.7 mttm -62.02 -40.25 95.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.813 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.602 HD11 HG21 ' A' ' 5' ' ' VAL . 73.0 mt -64.17 -27.58 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.306 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -73.73 -45.69 50.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.516 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -74.72 -19.11 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -90.62 -57.79 2.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.142 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -85.13 -33.42 22.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.41 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.47 26.49 7.67 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.253 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.752 HD13 ' CD2' ' A' ' 71' ' ' LEU . 41.8 mt -117.17 118.71 35.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.531 0.205 . . . . 0.0 111.18 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.24 153.7 26.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.433 2.089 . . . . 0.0 112.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.87 -24.89 17.28 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.601 2.201 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.33 29.15 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -128.01 -40.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.71 ' NE2' HD11 ' A' ' 69' ' ' LEU . 11.6 pt20 -106.87 130.89 54.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.096 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -99.37 121.46 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.572 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.95 HD23 HD22 ' A' ' 50' ' ' LEU . 1.2 tp -95.61 150.36 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.284 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -141.06 148.57 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.949 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -149.63 130.05 13.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 22.13 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.367 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.57 -24.52 25.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.691 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -77.35 136.45 38.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 110.982 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -76.89 121.98 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.95 HD22 HD23 ' A' ' 43' ' ' LEU . 3.9 mp -76.78 93.97 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.49 156.2 38.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -55.56 -29.18 58.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.93 62.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -140.94 142.71 34.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.4 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -84.48 175.51 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.629 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.4 mt -90.01 -57.85 2.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.315 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -51.94 -26.29 10.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.232 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -72.95 -31.02 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.817 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -93.06 8.79 38.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.305 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.0 m120 61.16 39.9 15.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.774 0.321 . . . . 0.0 111.171 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.9 mt -85.2 99.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.014 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -82.77 -175.27 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 146.13 34.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 56.36 25.17 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -70.55 -175.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.87 100.85 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.865 HD13 ' CD2' ' A' ' 43' ' ' LEU . 13.4 mt -93.31 121.99 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.651 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -75.68 125.39 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.027 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.71 HD11 ' NE2' ' A' ' 41' ' ' GLN . 4.5 tt -108.45 142.02 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.3 t -127.58 95.7 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.752 ' CD2' HD13 ' A' ' 36' ' ' ILE . 12.2 mt -70.49 106.01 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.71 0.29 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 17' ' ' VAL . 3.7 pt -96.09 150.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.587 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -106.64 112.47 25.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 0.0 111.139 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 30' ' ' ILE . 30.0 t -86.21 108.13 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.806 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.422 ' CB ' HG23 ' A' ' 12' ' ' THR . 10.0 tttm -96.13 128.69 43.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -90.19 -171.15 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.23 -58.01 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.016 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -56.27 -29.18 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.001 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.45 -3.64 9.5 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.801 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.779 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -56.74 111.33 0.98 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.916 0.389 . . . . 0.0 111.012 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -110.53 117.37 33.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.537 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.779 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.1 mm -115.52 140.62 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.097 0.475 . . . . 0.0 112.18 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.484 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.21 110.83 11.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.112 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -126.17 132.32 51.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.963 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.75 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -88.51 129.59 35.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.069 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 5.7 m -155.78 118.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.999 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.08 140.32 94.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.58 -27.98 62.88 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.474 2.116 . . . . 0.0 112.201 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.4 m -96.82 41.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.1 136.17 50.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -64.67 160.39 19.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.697 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 50' ' ' LEU . 42.6 mm -58.64 -29.54 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 14.4 tt0 -59.59 -41.04 89.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 47.7 t30 -63.83 -30.84 71.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.138 0.494 . . . . 0.0 110.531 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 2.9 t -76.25 -58.1 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.976 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.834 ' HE2' HD13 ' A' ' 43' ' ' LEU . 26.9 mmtp -56.23 -24.36 41.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.85 -60.46 3.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.803 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HB2' HD11 ' A' ' 15' ' ' LEU . 16.7 mttm -60.68 -43.56 97.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.022 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 5' ' ' VAL . 69.6 mt -62.02 -30.04 47.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.184 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.3 tm0? -71.74 -39.52 70.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.513 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.63 -12.99 55.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.248 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.04 -29.69 12.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.644 0.259 . . . . 0.0 111.248 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -116.81 -36.45 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.42 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.43 28.61 7.05 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.311 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.729 HD13 HD22 ' A' ' 71' ' ' LEU . 36.0 mt -113.82 108.67 51.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.501 0.191 . . . . 0.0 111.132 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.97 153.66 8.41 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.392 2.061 . . . . 0.0 112.256 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.17 -63.35 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.522 2.148 . . . . 0.0 112.458 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -59.18 -21.28 59.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.382 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -71.92 -31.63 66.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.288 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.636 ' HB2' HD21 ' A' ' 69' ' ' LEU . 22.6 pt20 -128.16 135.04 49.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 111.234 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -96.56 175.17 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.715 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.834 HD13 ' HE2' ' A' ' 27' ' ' LYS . 5.7 tp -142.89 137.95 29.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.023 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.0 mt -138.59 141.09 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -152.26 130.81 12.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.55 38.0 29.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.187 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.43 26.1 70.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -122.32 141.02 51.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -80.42 117.43 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.597 HD23 HD23 ' A' ' 43' ' ' LEU . 4.3 mp -82.65 79.01 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.62 151.21 25.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -53.01 -29.45 29.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.09 61.1 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -146.93 145.13 29.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.746 0.308 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -83.21 178.69 7.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.4 mt -90.02 -40.64 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.224 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -57.25 -28.64 63.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.49 -30.04 70.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 71.2 m-85 -101.15 16.45 25.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 53.78 39.52 30.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.0 mt -78.16 117.2 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -103.24 -178.98 3.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.63 139.81 56.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 54.67 28.94 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -67.33 148.13 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.784 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.0 101.2 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 67' ' ' LEU . 15.6 mt -93.44 119.13 32.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.742 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.495 ' O ' HD12 ' A' ' 43' ' ' LEU . 54.4 m-70 -70.75 126.16 28.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 41' ' ' GLN . 3.4 tt -111.31 146.61 36.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' N ' HD23 ' A' ' 69' ' ' LEU . 25.3 t -127.11 94.97 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.038 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.729 HD22 HD13 ' A' ' 36' ' ' ILE . 36.7 mt -73.34 103.3 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.786 0.327 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.3 pt -103.74 176.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.63 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -125.84 112.85 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.106 0.479 . . . . 0.0 111.277 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.518 HG21 HD23 ' A' ' 15' ' ' LEU . 45.6 t -89.06 107.68 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.594 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.433 ' CB ' HG23 ' A' ' 12' ' ' THR . 1.6 ttpm? -89.81 142.42 27.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.3 p -104.96 163.89 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.804 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -57.78 -46.08 85.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.853 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -29.22 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.67 58.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.448 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.74 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -135.49 111.63 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 111.044 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.63 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -107.13 115.84 30.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.262 179.541 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.74 HD11 ' HE2' ' A' ' 11' ' ' LYS . 28.4 mm -114.11 142.35 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.473 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -71.3 115.6 10.64 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.562 178.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.674 HD11 ' HD2' ' A' ' 29' ' ' LYS . 5.5 tp -130.1 113.4 14.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.912 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' N ' HD12 ' A' ' 15' ' ' LEU . 17.5 tp10 -82.27 119.04 23.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.151 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.956 HG11 HG13 ' A' ' 26' ' ' VAL . 8.2 m -143.34 120.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.68 155.41 21.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.11 -26.9 83.41 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.55 2.167 . . . . 0.0 112.053 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -97.39 26.75 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.757 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -99.55 109.94 22.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.664 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -57.97 160.16 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.694 HD12 HD23 ' A' ' 50' ' ' LEU . 45.1 mm -55.95 -37.05 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 18.2 tt0 -59.91 -41.53 91.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.661 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 8.9 t-20 -66.93 -32.44 73.69 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.299 0.571 . . . . 0.0 110.477 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.956 HG13 HG11 ' A' ' 17' ' ' VAL . 2.5 t -74.75 -55.23 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.596 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.77 ' HE3' HD13 ' A' ' 43' ' ' LEU . 6.1 mmtm -57.84 -25.24 60.42 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 176.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -61.91 -57.74 10.61 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.72 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.674 ' HD2' HD11 ' A' ' 15' ' ' LEU . 21.5 mttm -60.2 -38.82 84.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.149 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.443 ' CG1' HD22 ' A' ' 15' ' ' LEU . 82.3 mt -66.23 -30.8 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.466 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -71.59 -40.58 69.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.806 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.2 -15.64 40.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.422 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CE ' HD13 ' A' ' 15' ' ' LEU . 8.2 mtmm -91.88 -35.2 14.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.686 0.279 . . . . 0.0 111.249 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.58 -27.89 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.338 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.65 30.96 7.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.358 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.758 HD13 HD22 ' A' ' 71' ' ' LEU . 26.9 mt -123.19 108.36 32.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.577 0.227 . . . . 0.0 111.2 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.46 152.96 11.15 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.558 2.172 . . . . 0.0 112.311 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.92 -54.77 4.52 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.579 2.186 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.73 -29.9 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -59.76 -54.34 47.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.559 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.3 pp0? -120.73 135.37 55.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -98.47 -177.42 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.674 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.943 HD23 HD22 ' A' ' 50' ' ' LEU . 1.4 tp -145.1 154.1 42.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.167 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.508 HD12 ' C ' ' A' ' 43' ' ' LEU . 3.8 mp -145.65 152.56 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 67' ' ' LEU . 13.0 t80 -161.68 137.21 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.3 35.16 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.69 26.64 72.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.508 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -128.22 125.17 38.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.59 110.25 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.943 HD22 HD23 ' A' ' 43' ' ' LEU . 6.4 mp -63.87 113.78 3.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -70.05 -166.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -106.34 30.26 6.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.81 32.17 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.453 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -109.7 144.93 37.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.8 147.3 27.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.836 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.5 mp -56.42 -33.38 65.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.035 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.5 t -57.4 -27.82 62.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.734 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.96 -41.62 11.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.786 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 3.0 m-85 -76.1 -11.27 59.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 m120 69.63 39.53 1.52 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.836 ' HB ' HD23 ' A' ' 56' ' ' LEU . 51.2 mt -87.14 99.51 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.804 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.65 -170.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.76 155.13 24.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 48.32 27.86 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.228 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 m -74.86 -178.86 3.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -121.77 99.9 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.885 HD13 ' CD2' ' A' ' 43' ' ' LEU . 12.2 mt -89.82 126.54 35.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.487 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.405 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 16.1 m80 -76.89 118.73 19.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.008 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' A' ' 43' ' ' LEU . 5.4 tt -103.97 135.24 45.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.708 ' HA ' HD12 ' A' ' 8' ' ' LEU . 39.7 t -116.58 100.12 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.758 HD22 HD13 ' A' ' 36' ' ' ILE . 2.0 mt -80.49 112.61 17.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.884 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.629 ' HG2' HG22 ' A' ' 14' ' ' THR . 2.8 tt0 . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.773 0.321 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 pt -103.83 173.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.627 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -119.53 110.38 16.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.149 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.556 HG13 HD11 ' A' ' 43' ' ' LEU . 43.8 t -86.27 106.42 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.48 ' HB2' HG23 ' A' ' 12' ' ' THR . 15.8 tttp -93.72 131.75 38.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -93.39 159.77 15.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -58.56 -33.12 69.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -71.27 -30.56 66.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.97 60.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.829 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -139.5 105.06 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.955 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.627 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -103.46 110.98 23.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.394 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.829 HD11 ' HE2' ' A' ' 11' ' ' LYS . 38.5 mm -113.49 142.74 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.998 0.428 . . . . 0.0 112.146 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.629 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -75.25 117.14 16.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.045 179.352 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.739 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -134.77 118.94 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.684 -179.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.535 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.6 tm-20 -80.4 124.23 28.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.158 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.926 HG11 HG13 ' A' ' 26' ' ' VAL . 8.3 m -141.59 120.3 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.014 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.88 143.63 87.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.471 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 32.8 Cg_endo -64.65 -29.66 60.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.491 2.127 . . . . 0.0 112.298 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 t -95.11 43.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.91 148.11 49.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.7 p -76.08 172.96 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.773 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.637 HG22 ' HG2' ' A' ' 27' ' ' LYS . 37.0 mm -66.38 -30.62 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.626 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 2.8 mt-10 -54.56 -43.79 72.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.576 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 28.6 t-20 -65.82 -30.84 71.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.076 0.465 . . . . 0.0 110.79 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.926 HG13 HG11 ' A' ' 17' ' ' VAL . 3.5 t -74.91 -59.31 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.053 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HG2' HG22 ' A' ' 23' ' ' ILE . 9.9 mmtp -56.9 -23.86 47.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -63.45 -57.76 9.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.825 178.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HB2' HD11 ' A' ' 15' ' ' LEU . 22.0 mttm -62.99 -42.55 99.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.016 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.533 HD11 HG21 ' A' ' 5' ' ' VAL . 71.4 mt -63.15 -28.1 44.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.325 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -71.12 -54.08 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.539 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.37 -21.43 65.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.66 -74.58 0.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.895 0.379 . . . . 0.0 111.15 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -69.97 -30.86 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.39 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.23 28.56 8.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.345 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.983 HD13 HD21 ' A' ' 71' ' ' LEU . 45.6 mt -122.9 114.52 29.62 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.49 0.186 . . . . 0.0 111.207 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HG2' ' CG ' ' A' ' 40' ' ' GLN . 34.3 Cg_endo -65.51 152.51 81.65 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.282 1.988 . . . . 0.0 112.188 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.8 Cg_exo -59.16 -26.19 80.82 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.643 2.229 . . . . 0.0 112.546 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.38 -1.63 50.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.654 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 8.6 mm100 -109.28 -26.63 9.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.688 0.28 . . . . 0.0 111.283 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.723 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.9 pt20 -127.97 164.61 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 111.223 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -132.35 171.14 14.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.622 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 69' ' ' LEU . 3.5 tp -137.71 149.53 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.469 ' CD1' HG23 ' A' ' 70' ' ' VAL . 4.1 mp -143.5 138.93 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -137.54 114.44 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.41 29.51 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.69 -26.3 20.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.567 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.46 136.07 56.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.354 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.41 112.65 21.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 23' ' ' ILE . 6.5 mp -86.58 74.64 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.37 169.23 18.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.59 64.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.52 36.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 5.1 mmp_? -137.29 140.05 41.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.788 0.328 . . . . 0.0 110.744 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.12 167.4 21.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.9 mt -88.14 -61.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -25.57 12.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.173 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -63.86 -31.37 72.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.8 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 20.5 m-85 -99.08 5.49 46.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.339 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 59.54 70.04 0.67 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.912 0.387 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -109.07 97.53 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -74.7 -168.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.19 151.06 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.97 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 53.91 26.79 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.7 m -71.22 137.27 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.726 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.1 101.26 12.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 HD23 ' A' ' 43' ' ' LEU . 15.1 mt -93.38 122.43 35.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.694 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.32 114.52 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 41' ' ' GLN . 5.0 tt -96.18 148.75 22.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.675 ' HA ' HD12 ' A' ' 8' ' ' LEU . 22.9 t -127.88 94.9 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.983 HD21 HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -72.25 103.97 3.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.762 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.727 0.299 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.606 HG12 HG22 ' A' ' 17' ' ' VAL . 5.7 pt -88.15 172.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.511 ' CD1' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.84 101.53 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 0.0 111.172 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.734 HG11 HD12 ' A' ' 69' ' ' LEU . 43.4 t -78.67 108.79 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.657 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HB2' HG23 ' A' ' 12' ' ' THR . 17.5 tttt -97.75 127.46 43.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.006 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.2 p -88.51 161.61 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 70' ' ' VAL . 1.3 mt -59.52 -39.74 84.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 p -61.09 -30.96 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.4 50.39 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.57 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.836 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -130.69 111.55 12.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.511 HG22 ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -109.27 120.22 41.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.466 179.771 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.836 HD11 ' HE2' ' A' ' 11' ' ' LYS . 43.2 mm -121.35 141.06 43.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.476 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.37 110.89 11.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.087 179.212 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.707 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -125.18 123.21 39.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.747 -179.369 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.599 ' N ' HD13 ' A' ' 15' ' ' LEU . 42.1 tp10 -79.54 121.85 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.126 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.993 HG11 HG13 ' A' ' 26' ' ' VAL . 18.0 m -140.34 118.88 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -68.1 145.57 97.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 32.5 Cg_exo -57.46 -46.14 29.54 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.455 2.103 . . . . 0.0 112.219 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -62.32 -35.41 78.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -58.68 146.98 34.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 26' ' ' VAL . 19.7 p -88.5 177.16 6.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.645 HD12 HD23 ' A' ' 50' ' ' LEU . 39.9 mm -60.96 -33.46 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.5 tt0 -58.46 -41.55 85.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.58 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 7.1 t-20 -64.56 -30.92 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.25 0.547 . . . . 0.0 110.349 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.993 HG13 HG11 ' A' ' 17' ' ' VAL . 3.4 t -76.41 -57.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.888 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HE2' HD13 ' A' ' 43' ' ' LEU . 27.4 mmtp -55.99 -24.95 41.92 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.8 -62.14 1.84 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.07 178.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.634 ' HZ3' ' HA ' ' A' ' 17' ' ' VAL . 16.2 mttt -60.69 -43.45 97.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.914 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 5' ' ' VAL . 82.8 mt -62.44 -27.23 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.377 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.88 -40.59 60.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.641 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -84.01 -11.94 56.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.411 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.16 -29.3 13.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.676 0.274 . . . . 0.0 111.178 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -118.62 -37.13 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.319 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.07 29.11 5.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.36 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.82 HD13 ' CD2' ' A' ' 71' ' ' LEU . 28.6 mt -111.66 105.73 56.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 0.0 111.043 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.19 148.41 18.36 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.492 2.128 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.7 -28.17 74.33 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.478 2.119 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.22 27.52 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.085 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.2 -41.15 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.675 ' OE1' HD11 ' A' ' 69' ' ' LEU . 24.0 pt20 -109.8 157.97 18.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.044 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -129.14 132.53 47.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.615 HD13 ' HE2' ' A' ' 27' ' ' LYS . 2.3 tp -99.24 145.13 27.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.3 mt -139.85 134.86 38.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.052 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -141.04 125.99 18.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.52 30.76 17.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.48 25.75 64.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -119.08 139.24 52.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -85.05 107.7 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD23 HD12 ' A' ' 23' ' ' ILE . 9.3 mp -73.35 76.96 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -59.59 151.69 23.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.15 -30.37 59.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.78 55.3 1.02 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -146.59 170.17 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.332 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 p -116.63 167.3 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.4 mt -77.21 -42.14 38.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.247 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -55.11 -27.89 48.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.22 -31.91 68.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 66.2 m-85 -95.74 -4.41 44.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.428 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 62.66 60.28 1.34 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.8 mt -99.62 135.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 3' ' ' ILE . 6.8 pt20 -115.61 -177.62 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 144.32 57.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 57.68 29.12 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 3' ' ' ILE . 4.9 m -74.94 127.16 32.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.76 100.97 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.547 HD13 ' CD2' ' A' ' 43' ' ' LEU . 13.7 mt -97.25 118.02 32.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -70.8 126.63 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.042 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.734 HD12 HG11 ' A' ' 5' ' ' VAL . 1.9 tt -105.68 151.98 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.558 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.4 t -136.83 95.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.046 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.82 ' CD2' HD13 ' A' ' 36' ' ' ILE . 15.7 mt -73.05 122.44 21.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.431 ' HB2' HG22 ' A' ' 14' ' ' THR . 14.9 pt20 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -93.71 168.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.648 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -120.18 108.0 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.038 0.447 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 69' ' ' LEU . 32.2 t -82.87 105.27 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.97 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.577 ' HB2' HG23 ' A' ' 12' ' ' THR . 5.4 ttpp -93.57 128.87 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.0 p -91.39 166.83 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -58.81 -47.26 85.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.3 p -60.65 -30.8 70.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.18 59.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.598 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.821 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -130.17 101.28 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.964 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.648 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -101.37 108.78 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.821 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.7 mm -111.55 140.68 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.048 0.451 . . . . 0.0 112.145 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.98 110.95 10.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.271 179.492 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD12 HG13 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -127.07 118.51 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.609 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.498 ' N ' HD13 ' A' ' 15' ' ' LEU . 6.2 tm-20 -83.72 131.52 34.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.184 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.972 HG11 HG13 ' A' ' 26' ' ' VAL . 3.9 m -150.91 122.06 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.58 139.66 97.64 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.2 -35.07 90.17 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.36 2.04 . . . . 0.0 112.271 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -33.16 65.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.51 131.78 51.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.1 p -65.49 173.51 2.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.584 HG21 ' O ' ' A' ' 50' ' ' LEU . 35.7 mm -64.33 -31.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.59 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 8.0 tt0 -58.96 -40.56 85.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.063 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 17.3 t-20 -64.4 -30.92 71.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.076 0.465 . . . . 0.0 110.584 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.972 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -76.27 -57.03 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.973 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 9.1 mmtm -57.99 -22.81 51.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -65.61 -57.01 9.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.838 -1.073 . . . . 0.0 109.594 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HB2' HD11 ' A' ' 15' ' ' LEU . 25.4 mttm -63.87 -44.07 94.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.964 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 HG21 ' A' ' 5' ' ' VAL . 67.1 mt -61.7 -32.71 54.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.236 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.74 -56.06 14.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.36 -25.73 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -74.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.258 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -20.17 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.498 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.55 29.74 23.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.194 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.773 HD13 HD22 ' A' ' 71' ' ' LEU . 13.9 mt -123.7 105.11 33.01 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.54 0.209 . . . . 0.0 111.164 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.9 Cg_exo -52.67 151.77 18.4 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.385 2.056 . . . . 0.0 112.272 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.9 Cg_exo -54.4 -46.08 36.15 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.547 2.165 . . . . 0.0 112.321 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -64.7 -30.98 72.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -65.87 -52.47 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.546 ' HB2' HD21 ' A' ' 69' ' ' LEU . 2.7 pp0? -120.31 138.22 53.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.37 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -96.3 -176.37 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.621 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' A' ' 67' ' ' LEU . 6.6 tp -149.67 134.31 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mt -128.19 146.68 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.634 ' CD1' HD23 ' A' ' 67' ' ' LEU . 7.4 t80 -153.84 121.77 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.88 40.65 32.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.23 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.89 24.15 75.74 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . 70.8 mmtt -115.15 140.52 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -91.37 104.29 16.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' HG ' ' A' ' 43' ' ' LEU . 9.8 mp -69.34 70.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.12 153.24 42.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -70.41 65.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.92 39.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -148.36 164.1 35.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.1 p -102.28 147.22 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.3 mt -59.1 -35.3 73.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.6 t -56.78 -29.25 62.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -35.31 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 29.9 m-85 -88.79 -9.58 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.337 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m120 63.47 63.88 0.85 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.424 HG12 ' CD2' ' A' ' 45' ' ' PHE . 29.8 mt -106.2 100.12 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -77.01 -169.34 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 143.21 46.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 57.54 28.21 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -69.46 133.82 48.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.745 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.36 102.18 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.723 ' HB3' HD11 ' A' ' 43' ' ' LEU . 22.9 mt -94.69 124.83 38.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.642 ' O ' HD12 ' A' ' 43' ' ' LEU . 8.0 m170 -76.97 107.62 9.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.503 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 5' ' ' VAL . 2.4 tt -86.59 147.34 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.434 ' HA ' HD12 ' A' ' 8' ' ' LEU . 24.1 t -130.9 94.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.937 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.773 HD22 HD13 ' A' ' 36' ' ' ILE . 7.5 mt -74.01 122.18 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.839 0.352 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.52 HD13 HD21 ' A' ' 56' ' ' LEU . 19.8 pt -97.32 156.31 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.641 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -105.95 109.16 21.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.972 0.415 . . . . 0.0 111.245 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.577 HG21 HD11 ' A' ' 30' ' ' ILE . 38.9 t -83.79 106.12 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.731 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HB2' HG23 ' A' ' 12' ' ' THR . 8.7 tttt -91.57 139.01 31.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.95 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -103.05 170.77 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.5 OUTLIER -59.68 -48.31 82.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.3 p -59.32 -30.38 68.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.47 42.93 0.61 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.811 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -113.29 107.9 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.641 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -107.62 112.09 24.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.44 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.811 HD11 ' HE2' ' A' ' 11' ' ' LYS . 37.0 mm -113.39 141.71 28.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 112.156 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.47 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -77.81 110.8 13.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.06 179.27 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.884 HD12 HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -122.04 123.84 42.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 -179.383 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.604 ' N ' HD13 ' A' ' 15' ' ' LEU . 3.9 tp10 -81.26 115.26 20.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.379 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.907 HG11 HG13 ' A' ' 26' ' ' VAL . 11.2 m -143.71 118.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.87 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.09 154.47 29.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.26 -31.17 93.03 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.544 2.163 . . . . 0.0 112.053 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -96.86 26.22 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -97.49 113.34 25.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -56.93 157.45 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.018 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 HD23 ' A' ' 50' ' ' LEU . 51.3 mm -55.32 -38.19 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.107 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 3.6 mt-10 -59.52 -42.16 91.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.73 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 31.0 t-20 -66.99 -32.4 73.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.204 0.526 . . . . 0.0 110.415 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.907 HG13 HG11 ' A' ' 17' ' ' VAL . 3.0 t -73.83 -55.51 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.685 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.908 ' CE ' HD22 ' A' ' 43' ' ' LEU . 4.4 mmtm -56.82 -24.97 54.79 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -61.77 -60.25 3.94 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.717 178.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -59.9 -43.2 94.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.989 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.577 HD11 HG21 ' A' ' 5' ' ' VAL . 64.2 mt -62.52 -25.93 39.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.434 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -78.18 -36.75 47.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.754 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -85.18 -13.37 50.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.443 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.56 -33.51 10.96 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.709 0.29 . . . . 0.0 111.254 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.54 -27.59 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.474 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.76 28.94 14.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.169 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.875 HD13 HD21 ' A' ' 71' ' ' LEU . 31.0 mt -113.34 111.95 49.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.543 0.211 . . . . 0.0 111.142 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.9 145.98 38.43 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.396 2.064 . . . . 0.0 112.237 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.9 -37.81 92.89 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.497 2.131 . . . . 0.0 112.373 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.4 -30.58 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -59.12 -30.66 68.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.821 ' OE1' HD11 ' A' ' 69' ' ' LEU . 26.8 pt20 -131.39 162.83 29.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.121 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.16 166.81 14.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.679 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.908 HD22 ' CE ' ' A' ' 27' ' ' LYS . 7.4 tp -133.84 143.8 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.396 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.1 mt -139.6 144.39 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -142.27 123.77 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.77 31.39 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.233 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.09 25.38 62.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.439 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -122.49 113.5 19.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.17 103.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.611 ' CD2' HD23 ' A' ' 43' ' ' LEU . 7.8 mp -59.96 106.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.481 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -58.92 -163.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -96.28 -28.68 14.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.24 52.54 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.586 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -118.06 138.42 52.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.3 p -101.46 145.91 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.032 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.785 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.3 mp -57.75 -38.16 74.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.2 t -55.4 -29.33 58.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.757 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -90.12 -40.32 12.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.681 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -12.44 60.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.218 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 72.73 39.96 0.64 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.778 0.323 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.785 ' HB ' HD23 ' A' ' 56' ' ' LEU . 38.9 mt -93.68 100.4 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.5 -176.95 1.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.75 149.49 43.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 54.15 24.73 5.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -72.34 150.27 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.727 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -90.83 101.78 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.045 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 HD12 ' A' ' 3' ' ' ILE . 16.5 mt -95.72 117.45 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.698 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.533 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.6 m170 -67.09 137.45 56.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.821 HD11 ' OE1' ' A' ' 41' ' ' GLN . 9.1 tt -123.38 138.31 54.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.573 ' N ' HD23 ' A' ' 69' ' ' LEU . 36.0 t -117.69 95.01 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.875 HD21 HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.38 118.24 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.746 0.308 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 67' ' ' LEU . 13.9 pt -97.09 165.53 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.687 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -113.57 107.83 16.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 111.099 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.748 HG11 HD12 ' A' ' 69' ' ' LEU . 23.2 t -82.22 106.46 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.969 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.545 ' HB2' HG23 ' A' ' 12' ' ' THR . 4.3 tttt -95.83 125.0 40.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 69' ' ' LEU . 34.2 p -88.83 -177.48 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.03 -54.76 42.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.1 p -56.43 -27.6 57.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.73 29.2 2.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.832 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -89.82 101.73 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.687 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -101.14 107.71 19.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.479 179.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.832 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.0 mm -111.0 139.49 34.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.017 0.437 . . . . 0.0 111.981 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.481 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.3 110.79 11.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.11 179.394 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.764 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -123.96 124.15 41.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.863 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.627 ' N ' HD13 ' A' ' 15' ' ' LEU . 15.2 tp10 -81.71 123.69 28.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.158 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 5.5 m -148.63 122.84 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.894 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.6 142.84 94.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 52.5 Cg_exo -54.49 -29.89 61.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.496 2.131 . . . . 0.0 112.261 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.3 m -78.86 -30.83 45.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -58.78 139.79 55.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 26' ' ' VAL . 37.7 p -81.49 173.94 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -59.52 -37.63 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.034 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 5.2 tt0 -57.58 -41.44 81.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 15.3 t-20 -66.0 -30.93 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.17 0.51 . . . . 0.0 110.402 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 3.2 t -76.22 -57.01 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.665 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HE3' HD22 ' A' ' 43' ' ' LEU . 9.7 mmtm -56.96 -24.26 51.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.68 -59.73 4.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.732 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.758 ' NZ ' HG12 ' A' ' 17' ' ' VAL . 10.7 mttt -61.76 -44.03 97.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.824 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.404 ' CG1' ' HG ' ' A' ' 15' ' ' LEU . 80.9 mt -61.88 -26.49 40.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.376 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.24 -39.73 53.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.61 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -83.57 -12.06 56.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.308 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -99.4 -28.96 13.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.603 0.239 . . . . 0.0 111.307 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -119.63 -35.87 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.428 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.83 28.46 6.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.255 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.024 HD13 HD21 ' A' ' 71' ' ' LEU . 25.2 mt -107.45 107.13 59.98 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.587 0.232 . . . . 0.0 111.145 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.45 148.1 27.52 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.449 2.099 . . . . 0.0 112.265 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.57 -32.83 84.56 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.545 2.163 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.55 31.25 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.066 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -120.53 -37.37 3.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.589 ' OE1' HD11 ' A' ' 69' ' ' LEU . 24.5 pt20 -112.71 176.5 4.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.39 113.86 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.618 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 69' ' ' LEU . 4.6 tp -90.61 148.99 22.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 70' ' ' VAL . 4.0 mp -143.71 148.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.971 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -166.06 139.83 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.55 40.98 29.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.65 25.98 61.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 16.8 mttp -127.98 130.3 48.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.777 0.323 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -76.75 112.29 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mp -72.04 77.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.771 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.99 157.09 23.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -60.17 143.7 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.3 3.28 72.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -106.91 147.38 29.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 p -91.12 152.84 20.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.157 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.9 mt -66.26 -46.72 76.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.226 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -26.66 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -70.49 -31.21 68.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.674 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 36.0 m-85 -94.37 -16.0 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.22 68.8 0.39 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.923 0.392 . . . . 0.0 110.817 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -107.75 104.43 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.408 ' O ' HG22 ' A' ' 3' ' ' ILE . 66.7 mm-40 -72.41 -177.77 2.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 146.67 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 55.81 24.38 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.4 m -69.73 140.23 53.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.752 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.24 100.26 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.987 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.548 HD12 HD12 ' A' ' 3' ' ' ILE . 21.5 mt -91.22 118.01 30.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -69.76 113.31 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.751 ' HA ' HD12 ' A' ' 43' ' ' LEU . 1.7 tt -95.48 142.09 28.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.561 ' N ' HD23 ' A' ' 69' ' ' LEU . 27.7 t -126.81 97.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.024 HD21 HD13 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -77.9 116.68 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.437 ' HB2' HG22 ' A' ' 14' ' ' THR . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.746 0.308 . . . . 0.0 110.841 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 62' ' ' GLN . 12.3 pt -88.59 165.75 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.773 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.619 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -121.23 115.7 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.039 0.447 . . . . 0.0 111.286 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 30' ' ' ILE . 38.7 t -91.21 104.7 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.657 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.552 ' HB2' HG23 ' A' ' 12' ' ' THR . 6.1 tttp -93.2 132.51 37.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.405 HG22 ' HB3' ' A' ' 69' ' ' LEU . 25.3 p -94.13 157.37 16.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.595 ' CD1' HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -57.92 -28.43 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.1 -29.7 58.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.533 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.88 54.57 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.715 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -132.81 102.14 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -103.56 110.1 22.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.267 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.715 HD11 ' HE3' ' A' ' 11' ' ' LYS . 39.8 mm -111.47 141.05 28.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.494 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.61 110.86 11.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.186 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -124.8 126.68 46.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.605 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.656 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -87.77 129.76 35.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.367 -179.304 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.977 HG11 HG13 ' A' ' 26' ' ' VAL . 5.0 m -153.83 120.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.01 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.02 143.69 83.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.623 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.57 -27.73 15.11 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.44 2.093 . . . . 0.0 112.28 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -88.58 -21.38 24.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.958 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.62 115.59 2.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.659 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -59.91 164.13 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 59' ' ' TYR . 44.9 mm -56.39 -40.88 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -57.87 -41.92 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 16.7 t-20 -64.84 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.129 0.49 . . . . 0.0 110.663 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.977 HG13 HG11 ' A' ' 17' ' ' VAL . 2.4 t -75.94 -58.38 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.9 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.647 ' CE ' HD23 ' A' ' 43' ' ' LEU . 5.6 mmtm -56.1 -25.42 45.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -62.61 -57.84 9.67 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.627 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HB2' HD11 ' A' ' 15' ' ' LEU . 20.3 mttm -62.44 -39.07 92.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.853 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.585 HD11 HG21 ' A' ' 5' ' ' VAL . 64.3 mt -64.71 -27.92 43.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.314 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -73.04 -50.86 20.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.618 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.36 -20.88 62.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.265 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -70.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.259 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.44 -24.14 60.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.507 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.49 27.07 23.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.233 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.717 HD13 HD21 ' A' ' 71' ' ' LEU . 35.0 mt -118.23 113.35 37.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.597 0.237 . . . . 0.0 111.08 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.45 156.96 3.62 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.447 2.098 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.32 52.93 4.49 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.779 2.319 . . . . 0.0 112.431 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -162.56 -44.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.83 -24.23 56.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.994 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.843 ' OE1' HD11 ' A' ' 69' ' ' LEU . 17.7 pt20 -121.28 136.43 54.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -100.01 108.89 21.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.711 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.649 ' HG ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -88.72 126.01 35.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.2 mt -124.53 149.04 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.525 ' HB3' HD11 ' A' ' 50' ' ' LEU . 87.3 t80 -153.32 132.78 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.18 41.16 29.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.39 25.22 66.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -136.15 115.27 12.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -59.87 121.83 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.649 HD22 ' HG ' ' A' ' 43' ' ' LEU . 7.1 mp -60.36 86.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.745 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.91 143.43 45.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -61.73 115.51 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.63 24.02 4.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.564 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -121.62 146.71 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.1 p -103.63 148.38 26.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.797 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.3 mp -56.79 -31.23 64.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -29.16 64.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -90.01 -42.66 11.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 3.4 m-85 -72.2 -10.32 59.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.251 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t30 72.46 30.71 1.9 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.797 ' HB ' HD23 ' A' ' 56' ' ' LEU . 25.1 mt -85.39 100.72 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.877 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.508 ' O ' HG22 ' A' ' 3' ' ' ILE . 64.1 mm-40 -85.34 -172.82 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.63 142.9 54.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 56.42 25.39 9.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -61.52 -178.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.44 99.42 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.505 HD13 HD21 ' A' ' 50' ' ' LEU . 17.1 mt -94.55 121.96 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.749 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -77.97 115.22 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.213 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.843 HD11 ' OE1' ' A' ' 41' ' ' GLN . 8.6 tt -98.49 137.75 36.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.595 HG22 ' CD1' ' A' ' 8' ' ' LEU . 22.0 t -116.3 94.86 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.717 HD21 HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -72.28 113.13 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.611 ' HB3' HG22 ' A' ' 14' ' ' THR . 2.3 mt-30 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.697 0.284 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.515 HG12 HG22 ' A' ' 17' ' ' VAL . 4.0 pt -83.92 139.81 17.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.5 103.82 15.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.074 0.464 . . . . 0.0 111.245 -179.605 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.687 HG21 HD11 ' A' ' 30' ' ' ILE . 46.1 t -77.73 105.75 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.382 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.753 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.9 tttp -103.33 134.3 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.003 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.416 HG22 ' HB3' ' A' ' 69' ' ' LEU . 4.7 p -85.93 -162.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.26 67.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.2 p 53.31 81.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.05 -35.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.406 -0.902 . . . . 0.0 113.032 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.795 ' HE2' HD11 ' A' ' 13' ' ' ILE . 2.1 tptt -150.43 148.65 29.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 111.615 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.753 HG23 ' HB2' ' A' ' 6' ' ' LYS . 1.2 m -147.04 122.28 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.705 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.795 HD11 ' HE2' ' A' ' 11' ' ' LYS . 45.7 mm -123.58 142.86 38.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.862 0.689 . . . . 0.0 112.862 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -79.68 110.88 15.44 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.742 178.695 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -122.49 132.15 54.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.013 -179.018 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.748 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -87.66 129.31 35.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.102 -179.489 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.084 HG11 HG13 ' A' ' 26' ' ' VAL . 5.7 m -154.64 122.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.013 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.32 145.48 67.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 54.1 Cg_exo -51.91 -28.18 30.51 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.48 2.12 . . . . 0.0 112.262 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.515 ' C ' HG22 ' A' ' 55' ' ' THR . 19.4 m -102.56 30.08 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -100.59 118.59 37.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.2 p -59.47 160.76 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.743 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.656 HD12 HD23 ' A' ' 50' ' ' LEU . 45.2 mm -57.54 -36.94 55.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.182 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -59.56 -41.56 90.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.871 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 33.5 t-20 -66.69 -31.11 71.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.231 0.539 . . . . 0.0 110.313 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.084 HG13 HG11 ' A' ' 17' ' ' VAL . 3.1 t -75.39 -56.5 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.611 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.822 ' CE ' HD22 ' A' ' 43' ' ' LEU . 9.4 mmtm -56.79 -25.33 55.28 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -62.42 -58.77 6.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.714 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HB2' HD11 ' A' ' 15' ' ' LEU . 27.7 mttm -60.73 -42.54 97.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.006 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.687 HD11 HG21 ' A' ' 5' ' ' VAL . 65.1 mt -62.42 -29.36 46.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.203 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.74 -40.28 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.476 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -81.82 -14.12 56.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.331 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -97.91 -40.98 8.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -103.52 -29.8 10.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.9 26.21 11.92 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.32 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.439 HD13 HD22 ' A' ' 71' ' ' LEU . 35.2 mt -117.78 127.63 26.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.63 0.252 . . . . 0.0 111.112 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 70.6 Cg_endo -74.82 145.51 32.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.421 2.081 . . . . 0.0 112.187 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.3 Cg_exo -57.77 -27.13 76.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.573 2.182 . . . . 0.0 112.432 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.62 -28.87 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.304 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.404 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 15.8 mm-40 -86.16 -47.34 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.132 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.643 ' HB2' HD21 ' A' ' 69' ' ' LEU . 20.3 pt20 -99.84 138.66 36.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.57 160.42 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.822 HD22 ' CE ' ' A' ' 27' ' ' LYS . 6.3 tp -121.43 147.56 45.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 mt -150.17 145.12 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -161.04 139.72 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.975 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.552 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . . . 57.18 40.07 28.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.34 25.12 62.25 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 12.3 mtmm -126.73 123.56 37.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.89 108.78 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.0 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.656 HD23 HD12 ' A' ' 23' ' ' ILE . 6.7 mp -66.28 77.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.705 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.5 160.24 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -69.94 66.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.52 41.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -133.25 137.21 45.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.515 HG22 ' C ' ' A' ' 20' ' ' SER . 2.9 p -97.44 143.62 27.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.846 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.4 mp -55.39 -30.71 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -30.71 66.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.64 -43.98 12.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.437 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 5.5 m-85 -76.22 -6.61 52.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 63.42 41.72 7.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.77 0.319 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.846 ' HB ' HD23 ' A' ' 56' ' ' LEU . 43.6 mt -86.18 99.96 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.933 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -75.15 -176.41 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.149 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -70.75 152.02 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 51.77 26.22 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.11 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -77.14 147.77 36.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.699 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.45 102.36 15.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.931 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.53 HD13 HD21 ' A' ' 43' ' ' LEU . 12.8 mt -94.44 118.52 31.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.486 ' O ' HD12 ' A' ' 43' ' ' LEU . 4.4 m-70 -62.53 131.82 50.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.955 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.677 HD12 HG11 ' A' ' 5' ' ' VAL . 3.8 tt -120.59 145.79 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' N ' HD23 ' A' ' 69' ' ' LEU . 23.6 t -127.1 94.93 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.446 HD23 HD21 ' A' ' 69' ' ' LEU . 11.0 mt -74.17 104.64 5.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.528 HG12 HG22 ' A' ' 17' ' ' VAL . 5.6 pt -90.8 169.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.662 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -121.04 105.86 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 0.0 111.13 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.681 HG13 HD11 ' A' ' 43' ' ' LEU . 16.9 t -83.85 111.2 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.486 ' HB2' HG23 ' A' ' 12' ' ' THR . 16.1 tttt -97.68 127.02 43.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 p -87.36 -176.07 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.23 -56.67 19.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.6 p -55.9 -26.77 48.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.26 28.14 3.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.846 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -87.11 100.64 12.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.662 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -99.65 108.87 21.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.442 179.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.846 HD11 ' HE3' ' A' ' 11' ' ' LYS . 41.9 mm -112.0 141.84 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.992 0.425 . . . . 0.0 112.088 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.484 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.16 110.79 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.069 179.463 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -127.6 129.77 47.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.36 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.726 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.4 tp10 -85.55 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.168 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.037 HG11 HG13 ' A' ' 26' ' ' VAL . 5.6 m -154.04 119.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.976 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.56 145.84 67.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.486 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 29.7 Cg_endo -63.79 -27.88 67.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.427 2.085 . . . . 0.0 112.328 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 p -97.72 37.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -122.99 141.76 51.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.3 p -68.44 171.02 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.679 HD12 HD23 ' A' ' 50' ' ' LEU . 39.0 mm -66.89 -31.05 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 44.5 mt-10 -58.36 -40.98 83.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.561 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 27.4 t-20 -64.01 -30.89 71.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.159 0.504 . . . . 0.0 110.583 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.037 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -76.58 -57.92 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.98 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.764 ' HE2' HD13 ' A' ' 43' ' ' LEU . 5.2 mmtp -56.56 -23.6 41.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.57 -62.37 1.63 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.911 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' HD11 ' A' ' 15' ' ' LEU . 21.6 mttm -59.86 -42.98 94.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.067 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.654 HD11 HG21 ' A' ' 5' ' ' VAL . 78.6 mt -63.1 -29.91 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.307 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -71.6 -39.32 70.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.318 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.03 -14.7 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.245 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -97.19 -27.52 14.51 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.348 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.64 -39.02 2.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.377 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.28 28.9 5.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.388 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.799 HD13 ' CD2' ' A' ' 71' ' ' LEU . 38.8 mt -111.86 108.53 55.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.544 0.212 . . . . 0.0 111.197 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.4 Cg_exo -50.88 152.97 9.18 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.426 2.084 . . . . 0.0 112.363 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 42.9 Cg_exo -56.55 -63.56 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.558 2.172 . . . . 0.0 112.643 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.27 -22.0 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.468 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -39.16 75.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.303 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.597 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.2 pt20 -115.28 163.23 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 111.245 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 -140.41 124.68 17.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.764 HD13 ' HE2' ' A' ' 27' ' ' LYS . 4.0 tp -84.47 152.64 23.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 0.0 110.979 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mt -149.34 135.53 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.97 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -136.07 115.06 12.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.7 30.67 17.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.4 -29.44 10.24 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -61.92 113.86 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.17 101.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.679 HD23 HD12 ' A' ' 23' ' ' ILE . 5.4 mp -75.09 71.14 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.82 165.42 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.016 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -61.52 113.85 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.44 13.18 9.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.673 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 6.9 mmp_? -109.79 137.38 47.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 110.752 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.07 165.56 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.9 mt -87.31 -61.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.234 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -25.63 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.128 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -61.75 -30.78 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.766 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 22.4 m-85 -104.55 18.77 21.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 t30 55.83 76.45 0.28 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.839 0.352 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -119.63 103.29 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -84.41 -169.68 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -78.61 149.02 33.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 55.4 26.77 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -70.23 175.53 4.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.746 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.68 101.51 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD13 ' CD2' ' A' ' 43' ' ' LEU . 16.4 mt -99.91 117.96 35.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -71.19 140.88 50.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' A' ' 41' ' ' GLN . 3.6 tt -120.08 144.77 47.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.441 ' N ' HD23 ' A' ' 69' ' ' LEU . 23.6 t -125.91 98.44 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.799 ' CD2' HD13 ' A' ' 36' ' ' ILE . 11.8 mt -78.09 115.04 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.548 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.777 0.322 . . . . 0.0 110.697 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 62' ' ' GLN . 5.4 pt -96.61 150.39 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.701 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -99.97 117.25 33.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.006 0.432 . . . . 0.0 111.156 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -93.82 107.81 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.953 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.581 ' HB2' HG23 ' A' ' 12' ' ' THR . 34.6 tttt -93.92 124.96 38.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -87.33 173.18 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -58.44 -48.5 80.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -59.37 -29.1 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.14 45.48 0.68 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -112.87 102.54 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.701 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -98.49 106.67 18.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.342 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 47.0 mm -110.54 140.34 30.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 112.088 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.548 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -76.15 110.88 11.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.14 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.885 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -127.09 121.4 31.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.696 -179.445 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.593 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.3 tm-20 -85.28 120.88 27.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.013 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.003 HG11 HG13 ' A' ' 26' ' ' VAL . 5.9 m -142.4 129.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.162 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.9 154.68 80.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.807 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 33.6 Cg_endo -64.97 -50.72 2.0 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.41 2.074 . . . . 0.0 112.375 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 p -60.28 -29.77 69.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.48 118.11 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 26' ' ' VAL . 72.1 p -60.16 -177.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.448 HD12 HD23 ' A' ' 50' ' ' LEU . 43.8 mm -65.76 -37.13 79.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.6 tp10 -56.72 -42.51 79.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.718 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 10.9 t-20 -64.59 -33.21 75.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.255 0.55 . . . . 0.0 110.507 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.003 HG13 HG11 ' A' ' 17' ' ' VAL . 3.3 t -72.81 -55.59 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.863 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.674 ' HE3' HD13 ' A' ' 43' ' ' LEU . 10.7 mmtm -59.44 -21.74 60.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.43 -60.16 3.72 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.629 178.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' CB ' HD11 ' A' ' 15' ' ' LEU . 1.6 mptp? -60.03 -44.22 94.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.021 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.47 -27.96 43.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.423 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -73.99 -39.32 63.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.572 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -83.56 -13.51 54.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.272 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 -29.58 12.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.713 0.292 . . . . 0.0 111.265 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -116.04 -36.16 4.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.329 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.13 30.38 6.7 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.309 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.076 HD13 HD21 ' A' ' 71' ' ' LEU . 32.8 mt -115.72 112.17 43.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.5 0.19 . . . . 0.0 111.094 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 56.0 Cg_exo -52.12 150.26 19.5 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.456 2.104 . . . . 0.0 112.352 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.5 Cg_exo -57.82 -38.91 90.99 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.58 2.186 . . . . 0.0 112.476 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.24 -29.99 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.079 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.29 -28.82 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.693 ' HB2' HD21 ' A' ' 69' ' ' LEU . 11.2 pt20 -128.94 156.48 43.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.382 . . . . 0.0 111.209 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.83 -176.6 3.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.537 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.885 HD21 HD13 ' A' ' 67' ' ' LEU . 1.2 tp -154.85 138.08 15.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.926 0.393 . . . . 0.0 111.315 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mt -131.34 139.91 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CD1' HD23 ' A' ' 67' ' ' LEU . 24.8 t80 -154.15 136.1 14.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.59 30.67 19.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.4 27.86 73.11 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -128.01 143.16 51.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -84.9 114.18 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.87 HD22 HD23 ' A' ' 43' ' ' LEU . 10.1 mp -73.78 86.8 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.44 156.13 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.44 71.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.95 43.16 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.403 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 3.0 mtt180 -138.18 140.8 39.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -77.71 154.81 31.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.017 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.6 mt -71.63 -46.18 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 t -52.39 -25.97 11.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.54 -30.82 52.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.831 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 13.0 m-85 -91.81 8.75 35.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.365 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 58.64 35.08 24.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.724 0.297 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.433 HG12 ' CD2' ' A' ' 45' ' ' PHE . 32.6 mt -85.22 98.62 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.493 ' O ' HG22 ' A' ' 3' ' ' ILE . 2.6 mt-30 -80.68 -166.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.759 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 143.6 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 57.01 26.83 12.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.5 m -69.8 -177.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.82 100.05 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.885 HD13 HD21 ' A' ' 43' ' ' LEU . 21.3 mt -92.98 118.94 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -76.94 105.63 8.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.267 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 41' ' ' GLN . 6.0 tt -88.59 146.43 25.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.61 ' N ' HD23 ' A' ' 69' ' ' LEU . 21.5 t -123.54 94.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 HD13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -69.48 112.67 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.832 0.349 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.512 ' CD1' HD12 ' A' ' 67' ' ' LEU . 10.1 pt -87.85 172.0 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.485 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -123.48 101.58 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 110.965 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.727 HG11 HD12 ' A' ' 69' ' ' LEU . 21.6 t -79.14 111.01 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.4 ' HB2' HG23 ' A' ' 12' ' ' THR . 43.6 tttt -95.5 142.44 27.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.3 p -105.11 166.46 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -46.16 88.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.3 p -59.61 -29.46 68.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.28 47.99 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.84 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.85 109.83 15.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -109.14 116.83 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 179.679 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.84 HD11 ' HE2' ' A' ' 11' ' ' LYS . 41.0 mm -118.4 142.24 34.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.031 0.443 . . . . 0.0 112.034 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.479 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.27 110.82 11.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.137 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.692 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -126.39 127.01 44.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 -179.39 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.692 ' N ' HD13 ' A' ' 15' ' ' LEU . 46.0 tp10 -86.23 130.15 34.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.042 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 4.2 m -148.74 121.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -59.5 137.08 89.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.0 -27.24 53.55 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.433 2.089 . . . . 0.0 112.31 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 m -98.26 41.18 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -129.81 133.55 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.6 p -63.61 169.48 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 50' ' ' LEU . 43.5 mm -62.19 -30.96 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -59.07 -40.59 85.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.58 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 27.5 t-20 -64.22 -30.91 71.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.196 0.522 . . . . 0.0 110.689 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 2.6 t -76.29 -58.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.88 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.802 ' NZ ' HD22 ' A' ' 43' ' ' LEU . 9.1 mmtm -55.82 -25.04 39.87 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.28 -58.83 5.86 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.568 178.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HB2' HD11 ' A' ' 15' ' ' LEU . 22.4 mttm -61.75 -42.3 98.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.803 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.713 HD11 HG21 ' A' ' 5' ' ' VAL . 66.7 mt -62.5 -28.05 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.21 179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -73.8 -41.69 62.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.483 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.49 -14.19 58.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.227 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.11 -44.47 7.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.757 0.313 . . . . 0.0 111.225 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.88 -33.08 9.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.379 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.68 26.16 7.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.332 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.514 HD13 HD21 ' A' ' 71' ' ' LEU . 49.6 mt -118.0 127.13 26.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.523 0.202 . . . . 0.0 111.228 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 64.3 Cg_endo -73.68 148.43 41.76 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.427 2.085 . . . . 0.0 112.109 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 49.8 Cg_exo -55.38 -21.6 30.35 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.519 2.146 . . . . 0.0 112.621 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -80.44 -30.2 37.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.422 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 61.9 mt-30 -81.75 -29.12 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.191 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.757 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.7 pt20 -124.16 146.58 48.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.975 0.417 . . . . 0.0 111.116 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -118.34 179.79 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.478 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.802 HD22 ' NZ ' ' A' ' 27' ' ' LYS . 5.4 tp -140.71 147.87 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.046 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mt -148.41 144.51 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -163.17 139.44 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.001 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.14 39.71 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.08 25.62 62.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -123.64 140.68 52.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -81.77 112.94 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.0 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 23' ' ' ILE . 6.8 mp -78.93 70.04 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -60.9 160.65 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -70.56 65.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.23 40.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -140.6 141.6 35.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -75.77 173.2 11.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.621 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.5 mt -89.99 -39.08 13.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.174 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 t -58.54 -29.94 66.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -70.71 -30.66 67.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.401 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 26.9 m-85 -94.36 12.8 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.365 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 54.45 40.93 32.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.86 0.362 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.2 mt -88.65 127.46 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 3' ' ' ILE . 5.4 mm-40 -112.12 -169.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.22 141.94 45.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 58.35 27.37 15.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.9 m -80.06 134.79 36.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.781 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.93 104.45 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.512 HD12 ' CD1' ' A' ' 3' ' ' ILE . 12.0 mt -97.53 120.46 37.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.45 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.4 m-70 -66.18 137.04 56.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 41' ' ' GLN . 3.3 tt -121.28 151.97 39.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.622 ' N ' HD23 ' A' ' 69' ' ' LEU . 18.4 t -125.13 94.81 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.514 HD21 HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -82.28 107.01 14.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.945 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.713 ' HG2' HG22 ' A' ' 14' ' ' THR . 4.0 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.456 HG12 HG22 ' A' ' 17' ' ' VAL . 8.3 pt -96.62 171.51 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.561 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -121.42 106.45 11.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.962 0.41 . . . . 0.0 110.975 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.578 HG21 HD11 ' A' ' 30' ' ' ILE . 33.5 t -81.37 107.07 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.66 ' HB2' HG23 ' A' ' 12' ' ' THR . 33.1 tttm -98.83 125.26 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -90.57 162.66 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.445 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -59.48 -40.6 87.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.98 -31.65 71.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.42 63.93 0.35 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.856 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -142.97 104.0 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 111.007 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.66 HG23 ' HB2' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -103.68 109.13 20.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.367 179.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.856 HD11 ' HE2' ' A' ' 11' ' ' LYS . 43.7 mm -113.29 141.36 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.979 0.419 . . . . 0.0 112.073 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.713 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -76.59 110.82 11.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.092 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.659 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -126.57 123.77 38.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.773 -179.439 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.621 ' N ' HD13 ' A' ' 15' ' ' LEU . 29.3 tp10 -81.91 131.1 35.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.194 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.128 HG11 HG13 ' A' ' 26' ' ' VAL . 6.1 m -151.47 124.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.962 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.15 146.69 60.1 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.89 -28.41 48.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.486 2.124 . . . . 0.0 112.175 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.47 ' C ' HG22 ' A' ' 55' ' ' THR . 0.7 OUTLIER -104.86 31.35 4.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -98.95 118.05 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 26' ' ' VAL . 32.9 p -59.21 162.86 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.611 HD12 HD23 ' A' ' 50' ' ' LEU . 45.2 mm -58.52 -37.83 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 35.1 mt-10 -58.84 -41.77 87.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.619 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -66.36 -31.04 71.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.212 0.53 . . . . 0.0 110.403 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.128 HG13 HG11 ' A' ' 17' ' ' VAL . 2.8 t -75.89 -55.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.728 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.684 ' HE2' HD22 ' A' ' 43' ' ' LEU . 7.5 mmtp -58.18 -23.77 56.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.81 -60.52 3.18 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.862 178.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 15' ' ' LEU . 21.2 mttm -59.94 -43.78 94.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.153 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.578 HD11 HG21 ' A' ' 5' ' ' VAL . 81.1 mt -62.23 -30.39 48.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.242 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -71.43 -38.7 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.536 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -83.79 -14.01 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.295 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.83 -28.27 13.93 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.285 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -118.2 -37.82 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.402 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.75 28.92 6.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.347 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.735 HD13 ' CD2' ' A' ' 71' ' ' LEU . 31.1 mt -108.04 116.41 57.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.51 0.195 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 50.4 Cg_exo -55.49 142.24 81.18 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.427 2.085 . . . . 0.0 112.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 35.6 Cg_exo -57.42 -30.87 89.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.471 2.114 . . . . 0.0 112.491 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.08 23.3 6.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.272 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -120.35 -32.83 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.727 ' HB2' HD21 ' A' ' 69' ' ' LEU . 20.9 pt20 -113.56 141.86 46.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.065 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -106.38 152.15 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.684 HD22 ' HE2' ' A' ' 27' ' ' LYS . 5.4 tp -123.18 147.03 47.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.038 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 48' ' ' LYS . 21.4 mt -149.3 142.73 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.035 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -158.25 141.54 15.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 37.93 29.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.2 26.8 68.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 44' ' ' ILE . 12.8 mtmm -126.36 145.34 50.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -83.94 109.44 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 23' ' ' ILE . 4.7 mp -69.19 100.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.45 159.36 16.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.1 115.96 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.81 16.01 7.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.652 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.29 131.11 55.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.47 HG22 ' C ' ' A' ' 20' ' ' SER . 8.0 p -95.03 149.42 21.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.848 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.4 mp -57.89 -30.69 66.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.6 t -59.41 -29.89 68.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.783 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.89 -47.54 10.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.772 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 6.9 m-85 -73.3 -11.5 60.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.314 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 68.93 42.35 1.33 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.848 ' HB ' HD23 ' A' ' 56' ' ' LEU . 45.7 mt -86.39 99.91 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -71.41 -176.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -71.97 149.86 44.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 52.92 25.55 4.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 m -72.82 147.47 45.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.729 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.74 104.54 17.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.568 HD13 HD21 ' A' ' 43' ' ' LEU . 11.8 mt -93.62 119.73 33.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -71.03 119.78 15.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 41' ' ' GLN . 1.9 tt -110.31 152.64 25.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.538 ' N ' HD23 ' A' ' 69' ' ' LEU . 25.1 t -137.83 94.92 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.735 ' CD2' HD13 ' A' ' 36' ' ' ILE . 15.1 mt -72.69 124.8 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.804 0.335 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.524 HG12 HG22 ' A' ' 17' ' ' VAL . 4.8 pt -91.84 145.02 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -97.48 110.21 22.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.98 0.419 . . . . 0.0 111.193 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.653 HG21 HD11 ' A' ' 30' ' ' ILE . 32.4 t -85.57 110.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.789 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB2' HG23 ' A' ' 12' ' ' THR . 4.3 tttt -97.84 134.75 40.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -101.06 163.05 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.64 ' O ' HD22 ' A' ' 8' ' ' LEU . 1.4 tm? -59.62 -42.51 92.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.6 p -59.35 -29.77 67.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.81 64.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.728 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -145.93 112.22 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.34 . . . . 0.0 110.955 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -109.05 115.14 29.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.46 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.728 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.7 mm -117.31 140.96 38.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.936 0.398 . . . . 0.0 112.02 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.472 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.99 110.89 10.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.108 179.392 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -126.05 127.51 45.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.758 -179.42 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.686 ' N ' HD13 ' A' ' 15' ' ' LEU . 36.3 tp10 -86.02 130.13 34.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.041 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.043 HG11 HG13 ' A' ' 26' ' ' VAL . 5.1 m -151.58 119.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.81 138.77 90.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.81 -26.26 47.03 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.437 2.091 . . . . 0.0 112.283 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.58 39.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -129.31 128.18 42.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.3 p -59.81 174.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.6 HD12 HD23 ' A' ' 50' ' ' LEU . 40.6 mm -66.67 -31.47 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.8 tt0 -59.86 -40.03 87.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.579 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 27.1 t-20 -65.48 -31.4 72.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.195 0.521 . . . . 0.0 110.478 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.043 HG13 HG11 ' A' ' 17' ' ' VAL . 2.6 t -76.44 -56.73 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.752 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.836 ' NZ ' HD22 ' A' ' 43' ' ' LEU . 9.7 mmtm -57.33 -23.73 50.58 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 177.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.2 -60.97 2.57 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.721 178.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HB2' HD11 ' A' ' 15' ' ' LEU . 25.0 mttm -60.52 -42.24 96.03 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.086 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.653 HD11 HG21 ' A' ' 5' ' ' VAL . 72.0 mt -63.58 -28.53 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.284 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.8 -38.44 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.549 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.07 -14.25 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.192 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -97.2 -28.71 13.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.662 0.268 . . . . 0.0 111.287 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.85 -37.35 3.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.427 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.32 29.63 5.95 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.243 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.766 HD13 HD22 ' A' ' 71' ' ' LEU . 35.5 mt -113.2 111.54 50.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.492 0.187 . . . . 0.0 111.198 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 67.6 Cg_exo -51.58 152.51 12.39 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.375 2.05 . . . . 0.0 112.364 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.9 Cg_exo -54.81 -48.79 19.35 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.623 2.215 . . . . 0.0 112.487 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.2 -29.51 61.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -58.98 -30.92 68.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.086 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.537 ' HB2' HD21 ' A' ' 69' ' ' LEU . 21.1 pt20 -128.36 168.15 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.171 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 -133.55 166.05 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.678 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.836 HD22 ' NZ ' ' A' ' 27' ' ' LYS . 6.0 tp -132.72 146.78 52.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 70' ' ' VAL . 3.8 mp -142.0 149.11 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.967 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CD1' HD23 ' A' ' 67' ' ' LEU . 5.6 t80 -161.72 129.89 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.43 40.01 29.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.74 24.31 69.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.539 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -121.1 124.52 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.354 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.54 102.83 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.6 HD23 HD12 ' A' ' 23' ' ' ILE . 5.6 mp -64.98 79.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.674 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.78 158.25 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -63.63 113.52 3.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.14 21.2 6.0 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.571 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -116.47 134.03 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.409 ' C ' HD23 ' A' ' 56' ' ' LEU . 2.0 p -72.45 171.58 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.4 mt -89.96 -36.7 14.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -57.91 -29.45 65.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -63.63 -31.18 72.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -101.78 9.67 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.36 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 m120 55.68 43.36 28.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.349 . . . . 0.0 111.029 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.429 HG12 ' CD2' ' A' ' 45' ' ' PHE . 26.5 mt -78.7 114.49 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.191 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.429 ' O ' HG22 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -94.18 -168.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.83 148.73 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 55.51 26.01 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.9 m -75.22 -175.59 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.761 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.98 99.47 6.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 45' ' ' PHE . 12.2 mt -92.04 119.08 31.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.49 ' O ' HD12 ' A' ' 43' ' ' LEU . 25.6 m80 -66.4 138.46 57.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.583 HD12 HG11 ' A' ' 5' ' ' VAL . 2.6 tt -127.47 148.8 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.489 ' N ' HD23 ' A' ' 69' ' ' LEU . 21.5 t -129.02 98.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.766 HD22 HD13 ' A' ' 36' ' ' ILE . 19.2 mt -80.76 116.83 20.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.457 ' HB3' HG22 ' A' ' 14' ' ' THR . 4.5 mt-30 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.72 0.295 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 62' ' ' GLN . 4.6 pt -86.78 142.69 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.656 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -93.49 108.37 20.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.969 0.414 . . . . 0.0 111.202 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.6 HG21 HD11 ' A' ' 30' ' ' ILE . 30.1 t -83.73 105.17 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.574 ' HB2' HG23 ' A' ' 12' ' ' THR . 7.1 tttt -93.51 129.47 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -93.38 166.87 12.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -59.14 -46.5 88.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.7 p -60.31 -30.19 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.11 55.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.775 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -127.85 101.53 6.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.656 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -102.35 106.64 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.514 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.775 HD11 ' HE3' ' A' ' 11' ' ' LYS . 45.9 mm -112.43 138.6 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 112.016 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.461 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -74.57 110.86 9.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.056 179.284 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.694 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -125.43 126.78 45.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.837 -179.337 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.676 ' N ' HD13 ' A' ' 15' ' ' LEU . 44.8 tp10 -84.95 130.65 34.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.937 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.103 HG11 HG13 ' A' ' 26' ' ' VAL . 4.6 m -150.32 120.89 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.04 141.43 90.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.19 -34.73 88.99 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.411 2.074 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.586 ' O ' HG22 ' A' ' 55' ' ' THR . 0.3 OUTLIER -74.23 -32.47 63.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -59.44 136.88 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.1 p -78.57 -175.59 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.617 HD12 HD23 ' A' ' 50' ' ' LEU . 37.9 mm -65.19 -35.46 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.7 tp10 -57.67 -41.37 81.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.565 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 2.7 t30 -65.02 -30.89 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.123 0.487 . . . . 0.0 110.41 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.103 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -77.29 -56.66 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.856 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HE2' HD13 ' A' ' 43' ' ' LEU . 25.7 mmtp -56.44 -24.76 47.46 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.25 -61.35 2.3 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.951 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HB2' HD11 ' A' ' 15' ' ' LEU . 20.2 mttm -60.32 -43.39 96.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.044 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.6 HD11 HG21 ' A' ' 5' ' ' VAL . 76.5 mt -62.68 -29.23 46.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.333 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -39.83 67.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.56 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.75 -13.15 54.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.259 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 -28.67 13.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.25 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -118.67 -37.29 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.392 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.24 31.08 5.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.242 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.74 HD13 HD22 ' A' ' 71' ' ' LEU . 35.4 mt -117.15 107.08 46.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.546 0.212 . . . . 0.0 111.197 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -51.03 154.73 6.94 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.442 2.095 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.26 -62.9 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 112.482 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -59.65 -28.71 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -60.26 -37.09 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.191 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.523 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.3 pt20 -120.65 174.8 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 111.187 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.52 164.49 27.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.684 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.675 HD13 ' HE2' ' A' ' 27' ' ' LYS . 2.9 tp -136.79 143.52 43.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.123 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -140.85 142.0 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.43 ' CD2' HG12 ' A' ' 61' ' ' ILE . 33.4 t80 -159.32 137.66 10.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.95 39.08 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.22 26.61 64.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.498 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -125.79 146.2 49.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -83.98 118.29 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.617 HD23 HD12 ' A' ' 23' ' ' ILE . 6.5 mp -83.61 75.68 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.38 159.28 31.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -70.48 66.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.58 40.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -143.15 142.69 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 20' ' ' SER . 1.3 p -76.02 175.18 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.3 mt -89.93 -38.03 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.194 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.5 t -57.5 -30.1 64.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -71.87 -30.77 65.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 30.4 m-85 -93.3 4.12 54.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.438 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.3 m120 59.12 41.84 19.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.815 0.34 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.43 HG12 ' CD2' ' A' ' 45' ' ' PHE . 25.1 mt -87.01 118.61 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.586 ' O ' HG22 ' A' ' 3' ' ' ILE . 84.9 mm-40 -102.25 -177.79 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.89 143.37 55.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 58.23 26.65 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.9 m -72.95 150.52 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.06 101.44 13.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 3' ' ' ILE . 15.1 mt -92.55 121.3 33.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.673 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -75.09 113.11 12.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.6 tt -100.03 149.03 23.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.504 ' N ' HD23 ' A' ' 69' ' ' LEU . 22.0 t -134.38 97.55 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.74 HD22 HD13 ' A' ' 36' ' ' ILE . 12.9 mt -74.91 116.81 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.788 0.328 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.0 pt -92.12 144.7 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.797 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.4 OUTLIER -96.34 108.63 21.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.046 0.451 . . . . 0.0 111.229 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 30' ' ' ILE . 22.5 t -85.25 112.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.764 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HB2' HG23 ' A' ' 12' ' ' THR . 32.4 tttt -94.5 140.41 29.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.6 p -104.23 168.75 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -58.85 -48.14 82.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -29.46 66.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.5 46.26 0.63 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.549 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.725 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -117.97 112.19 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -108.97 115.95 31.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.559 179.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.725 HD11 ' HE2' ' A' ' 11' ' ' LYS . 44.2 mm -118.38 142.37 33.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 112.087 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.454 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.71 110.92 11.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.356 179.372 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD12 HG13 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -127.78 116.43 20.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.542 -179.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' N ' HD13 ' A' ' 15' ' ' LEU . 11.9 tm-20 -89.52 123.63 33.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.113 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.876 HG11 HG13 ' A' ' 26' ' ' VAL . 16.6 m -141.38 133.5 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.005 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.74 143.63 98.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.97 -47.5 20.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.376 2.05 . . . . 0.0 112.25 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.707 ' O ' HG22 ' A' ' 55' ' ' THR . 1.6 p -58.63 -34.44 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.002 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.65 123.55 16.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 26' ' ' VAL . 23.8 p -59.12 178.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.449 HD11 ' CE2' ' A' ' 59' ' ' TYR . 42.0 mm -64.44 -36.14 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 17.7 tt0 -58.62 -40.48 83.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.725 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 14.9 t-20 -64.44 -33.93 77.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.23 0.538 . . . . 0.0 110.591 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.876 HG13 HG11 ' A' ' 17' ' ' VAL . 2.9 t -71.44 -57.48 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.997 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.697 ' CE ' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -58.99 -22.2 60.15 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.309 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -61.9 -59.48 5.06 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.655 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.545 ' CE ' HG12 ' A' ' 17' ' ' VAL . 1.6 mptp? -60.05 -41.71 92.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.984 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 5' ' ' VAL . 68.8 mt -64.02 -25.45 38.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.563 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.89 -39.1 44.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.634 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.49 -15.07 53.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.59 -32.43 12.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.703 0.287 . . . . 0.0 111.432 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.23 -36.65 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.509 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.19 29.15 6.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.384 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.735 HD13 HD22 ' A' ' 71' ' ' LEU . 27.0 mt -115.48 110.96 44.39 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.555 0.217 . . . . 0.0 111.169 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.57 146.36 34.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.415 2.077 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.21 -35.09 95.0 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.451 2.101 . . . . 0.0 112.401 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -80.78 -31.24 35.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.04 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -29.14 68.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.622 ' HB2' HD21 ' A' ' 69' ' ' LEU . 9.0 pt20 -126.41 138.16 53.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.6 mtt85 -99.32 168.44 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.672 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.697 HD23 ' CE ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -139.47 124.72 18.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 70' ' ' VAL . 2.6 mp -122.52 142.65 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CD2' HG12 ' A' ' 61' ' ' ILE . 59.2 t80 -149.76 126.06 10.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . . . 57.03 31.29 19.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.84 26.0 70.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 12.9 mtmm -122.77 139.71 53.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -85.15 108.55 17.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.558 HD22 ' HG ' ' A' ' 43' ' ' LEU . 8.6 mp -64.53 81.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.6 145.2 40.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.89 74.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.36 43.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -140.8 142.18 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.804 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 20' ' ' SER . 69.2 p -80.61 146.91 30.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.5 mt -58.22 -30.33 66.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -58.09 -30.63 66.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.23 -41.48 76.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.725 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CE2' HD11 ' A' ' 23' ' ' ILE . 47.5 m-85 -85.7 -14.42 45.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 m120 66.61 54.32 0.86 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.443 HG12 ' CD2' ' A' ' 45' ' ' PHE . 22.3 mt -91.84 97.24 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -60.15 -169.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.98 147.54 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 58.18 24.24 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.68 -170.2 1.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.534 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -125.05 98.65 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.537 HD22 HD11 ' A' ' 43' ' ' LEU . 6.7 mt -82.95 138.33 33.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.575 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -89.24 103.34 15.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.335 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.622 HD21 ' HB2' ' A' ' 41' ' ' GLN . 2.0 tt -90.19 153.57 20.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.801 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.556 ' N ' HD23 ' A' ' 69' ' ' LEU . 19.5 t -133.87 94.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.735 HD22 HD13 ' A' ' 36' ' ' ILE . 50.1 mt -73.96 113.28 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.764 0.316 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.524 ' CD1' HD12 ' A' ' 67' ' ' LEU . 8.9 pt -88.29 172.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.36 101.42 7.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.0 111.081 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 69' ' ' LEU . 22.3 t -77.36 112.09 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.45 ' HB2' HG23 ' A' ' 12' ' ' THR . 21.6 tttt -100.0 135.5 41.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.998 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 p -99.06 172.79 7.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -67.32 -47.51 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -57.46 -28.7 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.78 69.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.425 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.826 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -146.83 110.08 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.994 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.573 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -109.13 114.73 28.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.542 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.826 HD11 ' HE2' ' A' ' 11' ' ' LYS . 41.5 mm -116.52 141.62 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.065 0.46 . . . . 0.0 111.984 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.81 110.83 10.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.289 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -127.0 126.2 42.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.756 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.667 ' N ' HD13 ' A' ' 15' ' ' LEU . 13.1 tm-20 -85.2 130.9 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.144 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.029 HG11 HG13 ' A' ' 26' ' ' VAL . 4.8 m -148.13 119.87 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.037 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.94 141.73 89.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.36 -33.47 96.26 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.351 2.034 . . . . 0.0 112.245 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -92.91 47.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.993 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -132.65 148.2 52.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.4 p -81.89 170.4 15.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.487 HD12 HD23 ' A' ' 50' ' ' LEU . 37.9 mm -61.62 -32.52 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.576 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 4.5 tm-20 -58.92 -40.78 85.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.591 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -65.51 -30.96 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.194 0.521 . . . . 0.0 110.462 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.029 HG13 HG11 ' A' ' 17' ' ' VAL . 2.8 t -76.53 -56.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.77 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HE2' HD13 ' A' ' 43' ' ' LEU . 26.7 mmtp -57.15 -24.05 51.61 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 177.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.91 -61.46 2.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.905 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' A' ' 15' ' ' LEU . 19.5 mttm -59.94 -43.59 94.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.07 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 5' ' ' VAL . 76.6 mt -63.04 -28.34 44.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.428 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -73.16 -39.58 65.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.507 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -82.92 -14.49 54.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.224 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.0 -27.98 14.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.376 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -119.08 -39.33 2.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.359 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.79 28.09 5.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.429 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.759 HD13 HD22 ' A' ' 71' ' ' LEU . 37.0 mt -110.37 108.82 58.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.556 0.217 . . . . 0.0 111.154 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 57.7 Cg_exo -51.94 149.06 21.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.541 2.161 . . . . 0.0 112.36 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.4 Cg_exo -57.92 -30.69 90.56 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.54 2.16 . . . . 0.0 112.417 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -95.7 23.88 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -118.24 -31.8 4.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.583 ' HB2' HD21 ' A' ' 69' ' ' LEU . 23.4 pt20 -121.47 166.18 14.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.037 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -128.16 163.47 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.687 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.64 HD13 ' HE2' ' A' ' 27' ' ' LYS . 5.2 tp -132.6 144.56 50.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.067 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.486 ' CD1' HG23 ' A' ' 70' ' ' VAL . 3.5 mp -140.71 146.36 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.455 ' CD1' HD23 ' A' ' 67' ' ' LEU . 5.5 t80 -160.33 133.38 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.08 33.12 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.95 21.79 78.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.628 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -116.27 142.22 47.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -85.15 101.36 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD23 HD12 ' A' ' 23' ' ' ILE . 6.0 mp -67.44 79.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.77 159.89 28.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.95 116.28 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.85 16.69 9.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.63 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -110.77 132.22 54.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 110.789 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.38 168.55 18.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.034 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.3 mt -86.12 -41.43 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -57.2 -29.17 63.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.52 -31.07 70.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 40.1 m-85 -98.11 10.09 41.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.382 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 56.47 42.31 27.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.825 0.345 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.429 HG12 ' CD2' ' A' ' 45' ' ' PHE . 27.9 mt -82.65 128.48 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' HG22 ' A' ' 3' ' ' ILE . 29.3 mt-30 -112.17 -168.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -77.82 141.54 39.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 58.89 27.93 16.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.512 ' H ' HG22 ' A' ' 3' ' ' ILE . 45.1 m -80.09 137.39 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.673 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.14 105.56 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.524 HD12 ' CD1' ' A' ' 3' ' ' ILE . 10.9 mt -97.55 120.77 38.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.477 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.2 m-70 -68.14 137.39 54.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 5' ' ' VAL . 1.8 tt -126.09 151.05 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.603 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.4 t -135.85 94.94 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.759 HD22 HD13 ' A' ' 36' ' ' ILE . 6.5 mt -77.61 120.89 23.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.402 ' HB3' HG22 ' A' ' 14' ' ' THR . 7.5 mt-30 . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.626 0.25 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.494 HG12 HG22 ' A' ' 17' ' ' VAL . 4.4 pt -86.04 142.16 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.674 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -100.03 106.55 18.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.969 0.414 . . . . 0.0 111.148 -179.802 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.704 HG11 HD12 ' A' ' 69' ' ' LEU . 22.1 t -81.29 105.67 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HB2' HG23 ' A' ' 12' ' ' THR . 2.2 tttt -95.86 123.21 39.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 69' ' ' LEU . 27.6 p -87.89 175.84 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.638 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -59.59 -50.98 71.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -57.76 -28.11 63.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.48 41.51 0.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.83 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -105.99 100.15 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.938 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.674 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -100.51 106.35 17.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.512 179.612 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.83 HD11 ' HE3' ' A' ' 11' ' ' LYS . 44.9 mm -111.71 139.95 33.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.461 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.92 110.94 10.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.117 179.337 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -125.75 132.13 52.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 -179.354 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.763 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -89.5 130.06 35.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.087 -179.576 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 5.3 m -154.34 119.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.911 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -60.33 139.89 91.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.99 -27.21 62.79 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.414 2.076 . . . . 0.0 112.311 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.7 m -96.47 39.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -127.68 133.93 49.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.802 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.4 p -64.33 170.94 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.476 HD11 ' HG ' ' A' ' 50' ' ' LEU . 40.6 mm -63.71 -31.13 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 5.1 tt0 -58.7 -40.88 84.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.569 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 28.4 t-20 -64.5 -31.05 72.1 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.12 0.486 . . . . 0.0 110.423 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 2.6 t -76.9 -57.28 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.896 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.752 ' HE2' HD13 ' A' ' 43' ' ' LEU . 24.6 mmtp -56.35 -24.26 42.88 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.2 -61.84 1.99 Allowed 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.938 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HB2' HD11 ' A' ' 15' ' ' LEU . 22.5 mttm -59.82 -43.01 94.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.045 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.1 -29.05 46.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.335 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -72.72 -39.15 67.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.496 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -83.37 -14.55 52.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.29 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -98.52 -28.99 13.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.767 0.318 . . . . 0.0 111.374 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -116.87 -36.72 3.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.407 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.41 26.41 7.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.396 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.66 HD13 HD21 ' A' ' 71' ' ' LEU . 30.9 mt -110.9 103.96 55.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.567 0.222 . . . . 0.0 111.125 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.93 149.56 14.56 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.477 2.118 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.55 -28.96 76.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.582 2.188 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -97.04 27.27 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -123.08 -38.34 2.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.688 ' HB2' HD21 ' A' ' 69' ' ' LEU . 22.9 pt20 -115.01 164.79 13.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.129 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -124.45 162.72 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.688 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.752 HD13 ' HE2' ' A' ' 27' ' ' LYS . 2.5 tp -134.33 137.23 44.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.2 mt -136.29 137.79 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CD1' HD23 ' A' ' 67' ' ' LEU . 46.7 t80 -153.59 131.82 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.3 43.28 26.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 24.55 58.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -120.24 140.61 50.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.796 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -84.07 107.26 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' HG ' HD11 ' A' ' 23' ' ' ILE . 6.0 mp -72.2 76.52 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.781 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -73.77 158.53 34.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.1 113.73 3.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.61 19.23 6.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.666 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -116.25 136.15 53.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' HD23 ' A' ' 56' ' ' LEU . 2.4 p -73.8 172.48 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.642 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.3 mt -89.98 -36.73 14.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -57.64 -30.19 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.61 -30.92 71.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -98.77 2.74 47.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.414 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 58.78 51.2 7.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -88.29 103.93 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -83.25 -170.41 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 145.65 31.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 56.18 26.42 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.008 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 m -70.59 -175.97 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.767 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.1 104.79 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.999 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 67' ' ' LEU . 13.3 mt -94.72 119.1 32.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -71.04 113.11 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.704 HD12 HG11 ' A' ' 5' ' ' VAL . 1.8 tt -100.91 144.27 30.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.638 HG13 ' CD1' ' A' ' 8' ' ' LEU . 38.4 t -134.57 98.65 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.06 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.66 HD21 HD13 ' A' ' 36' ' ' ILE . 2.5 mm? -70.03 118.28 12.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.77 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.836 0.351 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.403 ' O ' ' CD2' ' B' ' 27' ' ' PHE . 35.9 p -109.37 30.79 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.43 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 5.2 mp0 -71.23 -41.05 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.96 -21.13 22.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -54.56 -56.39 19.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.152 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 28' ' ' LEU . 12.6 p90 -72.74 -30.84 64.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 15.9 tp -66.17 -36.11 82.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -31.74 65.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.425 ' CZ2' ' HG3' ' B' ' 34' ' ' GLU . 7.7 t90 -71.53 -33.07 68.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.54 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -28.07 63.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.723 ' HA ' HD22 ' A' ' 8' ' ' LEU . 3.0 ttm180 -57.31 -61.56 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -33.3 72.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.425 ' HG3' ' CZ2' ' B' ' 30' ' ' TRP . 0.3 OUTLIER -58.48 -32.64 68.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.52 -29.61 24.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.89 77.55 9.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -105.09 149.6 25.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -151.94 -61.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.5 ptp -113.67 -40.47 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.523 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ttt . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.899 0.38 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.03 105.58 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.552 HG22 ' H ' ' A' ' 65' ' ' SER . 8.6 pt -97.51 171.35 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.634 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -119.97 107.43 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.049 0.452 . . . . 0.0 111.07 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.668 HG13 HD11 ' A' ' 43' ' ' LEU . 24.6 t -82.56 106.64 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.572 ' HB2' HG23 ' A' ' 12' ' ' THR . 19.7 tttt -95.91 128.6 42.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 69' ' ' LEU . 30.3 p -92.52 169.49 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.723 HD22 ' HA ' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -58.69 -46.33 87.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.6 p -59.62 -29.66 68.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.35 46.97 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.765 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -117.2 102.03 8.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.634 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -102.38 108.28 19.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.424 179.588 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.765 HD11 ' HE3' ' A' ' 11' ' ' LYS . 43.7 mm -112.06 141.44 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.015 0.436 . . . . 0.0 112.059 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.479 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.12 110.88 10.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.184 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.673 HD12 HG13 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -127.57 122.3 32.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.763 -179.486 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.57 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -82.82 130.72 35.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.024 -179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.048 HG11 HG13 ' A' ' 26' ' ' VAL . 4.5 m -152.82 128.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.189 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.39 147.67 98.18 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 17.9 Cg_endo -60.33 -40.79 55.49 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.421 2.081 . . . . 0.0 112.214 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -30.95 69.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.35 126.3 26.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.7 p -64.2 173.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.498 HD12 HD23 ' A' ' 50' ' ' LEU . 44.5 mm -62.63 -33.0 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 13.3 mt-10 -57.98 -40.91 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 18.6 t-20 -64.89 -30.9 71.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.148 0.499 . . . . 0.0 110.516 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.048 HG13 HG11 ' A' ' 17' ' ' VAL . 2.8 t -76.68 -57.51 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.844 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.754 ' HE3' HD13 ' A' ' 43' ' ' LEU . 11.9 mmtm -56.23 -24.55 43.01 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -63.79 -60.31 3.46 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.691 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -61.18 -43.18 99.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.915 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.532 HD11 HG21 ' A' ' 5' ' ' VAL . 79.2 mt -62.73 -26.58 41.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.316 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.26 -37.77 57.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.465 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -83.97 -13.67 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.327 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.79 -29.49 13.33 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.759 0.314 . . . . 0.0 111.284 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -117.27 -36.74 3.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.34 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.9 27.69 6.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.324 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.789 HD13 ' CD2' ' A' ' 71' ' ' LEU . 25.8 mt -107.97 112.52 61.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.515 0.198 . . . . 0.0 111.117 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 57.1 Cg_exo -51.99 146.82 28.17 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.421 2.081 . . . . 0.0 112.314 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 42.4 Cg_exo -56.66 -35.71 97.61 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.544 2.163 . . . . 0.0 112.443 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.75 23.17 6.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.2 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -116.64 -27.68 6.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.6 ' OE1' HD11 ' A' ' 69' ' ' LEU . 27.3 pt20 -121.84 131.19 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.074 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -102.51 127.26 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.611 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.881 ' CD2' HD13 ' A' ' 67' ' ' LEU . 1.1 tp -103.75 144.1 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 111.256 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.36 149.78 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.441 ' CD1' HD23 ' A' ' 67' ' ' LEU . 8.1 t80 -157.79 132.55 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.47 30.55 18.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.01 26.82 71.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -124.85 135.33 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 109.02 14.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.872 HD22 HD23 ' A' ' 43' ' ' LEU . 8.1 mp -66.25 101.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.86 152.7 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.38 -30.18 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.04 53.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -137.19 150.9 48.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 p -87.91 174.79 8.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.579 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.8 mt -89.97 -47.39 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.302 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.6 t -51.96 -26.04 9.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -31.07 71.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.758 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -100.78 11.03 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 58.53 43.74 18.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 45' ' ' PHE . 26.2 mt -84.14 104.82 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.434 ' O ' HG22 ' A' ' 3' ' ' ILE . 46.5 mt-30 -91.54 -168.67 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 144.76 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 56.23 25.4 9.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.02 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.552 ' H ' HG22 ' A' ' 3' ' ' ILE . 72.1 m -70.83 139.81 51.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.697 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.4 98.77 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.881 HD13 ' CD2' ' A' ' 43' ' ' LEU . 13.1 mt -91.12 120.1 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.592 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 14.4 m170 -71.26 128.48 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.929 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.6 HD11 ' OE1' ' A' ' 41' ' ' GLN . 2.6 tt -114.39 149.66 35.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.648 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.8 t -132.1 95.04 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.789 ' CD2' HD13 ' A' ' 36' ' ' ILE . 44.3 mt -70.78 114.94 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 ttm-85 -73.86 110.5 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.71 174.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 60.47 103.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.55 -117.08 4.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.483 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 73.4 p -59.41 -36.63 76.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -50.85 63.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.83 -29.24 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -58.36 -52.58 65.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -60.23 -26.73 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.4 HD13 ' HB3' ' A' ' 68' ' ' HIS . 15.4 tp -59.37 -37.95 79.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.761 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -67.88 -32.84 73.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.532 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -62.42 -31.7 72.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.538 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.502 ' NE1' HG11 ' A' ' 70' ' ' VAL . 3.4 t-105 -73.0 -34.88 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' B' ' 36' ' ' ALA . 11.3 ttm-85 -60.04 -39.86 87.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 14.1 p -72.41 -31.66 65.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.98 -37.68 80.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -31.47 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' B' ' 32' ' ' ARG . . . -110.05 97.37 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -74.32 87.3 2.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -106.09 -44.74 4.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.5 ttp -60.33 -64.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.551 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.801 0.334 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.616 ' HB3' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -85.09 84.68 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.43 HG12 HG22 ' A' ' 17' ' ' VAL . 5.8 pt -85.06 139.17 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.649 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -97.89 107.02 19.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.176 -179.701 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.602 HG21 HD11 ' A' ' 30' ' ' ILE . 22.5 t -83.47 109.03 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.896 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.65 ' HB2' HG23 ' A' ' 12' ' ' THR . 30.8 tttt -98.84 121.9 41.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -88.45 168.12 12.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -59.71 -49.41 77.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -55.98 -27.33 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.01 68.03 0.56 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.406 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.845 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -142.07 103.46 4.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -102.08 106.5 17.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.366 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.845 HD11 ' HE3' ' A' ' 11' ' ' LYS . 39.9 mm -111.75 140.13 32.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.616 HG22 ' HB3' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -76.52 110.78 11.35 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.046 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -122.52 127.73 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 -179.295 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.684 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -87.41 130.59 34.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.14 -179.535 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.013 HG11 HG13 ' A' ' 26' ' ' VAL . 4.4 m -152.84 123.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.89 145.68 88.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.679 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 27.0 Cg_endo -62.82 -26.48 74.79 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.506 2.137 . . . . 0.0 112.244 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.5 m -96.32 40.42 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -127.72 140.62 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 p -70.39 164.59 24.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -60.1 -33.05 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 5.4 tm-20 -59.1 -40.66 86.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 2.4 t30 -64.87 -31.03 72.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.167 0.508 . . . . 0.0 110.582 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.013 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -75.49 -58.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.909 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.619 ' HE3' HD13 ' A' ' 43' ' ' LEU . 9.6 mmtm -56.58 -24.7 49.17 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -62.94 -57.72 9.79 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.541 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HB2' HD11 ' A' ' 15' ' ' LEU . 14.7 mttm -62.02 -40.25 95.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.813 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.602 HD11 HG21 ' A' ' 5' ' ' VAL . 73.0 mt -64.17 -27.58 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.306 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -73.73 -45.69 50.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.516 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -74.72 -19.11 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -90.62 -57.79 2.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.142 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -85.13 -33.42 22.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.41 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.47 26.49 7.67 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.253 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.752 HD13 ' CD2' ' A' ' 71' ' ' LEU . 41.8 mt -117.17 118.71 35.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.531 0.205 . . . . 0.0 111.18 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.24 153.7 26.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.433 2.089 . . . . 0.0 112.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.87 -24.89 17.28 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.601 2.201 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.33 29.15 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -128.01 -40.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.71 ' NE2' HD11 ' A' ' 69' ' ' LEU . 11.6 pt20 -106.87 130.89 54.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.096 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -99.37 121.46 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.572 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.95 HD23 HD22 ' A' ' 50' ' ' LEU . 1.2 tp -95.61 150.36 20.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.284 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.43 HG12 ' CZ3' ' B' ' 31' ' ' TRP . 3.5 mp -141.06 148.57 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.949 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -149.63 130.05 13.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 22.13 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.367 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.57 -24.52 25.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.691 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -77.35 136.45 38.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 110.982 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -76.89 121.98 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.95 HD22 HD23 ' A' ' 43' ' ' LEU . 3.9 mp -76.78 93.97 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.49 156.2 38.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -55.56 -29.18 58.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.93 62.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -140.94 142.71 34.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.4 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -84.48 175.51 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.629 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.4 mt -90.01 -57.85 2.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.315 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -51.94 -26.29 10.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.232 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -72.95 -31.02 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.817 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -93.06 8.79 38.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.305 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.0 m120 61.16 39.9 15.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.774 0.321 . . . . 0.0 111.171 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.9 mt -85.2 99.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.014 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -82.77 -175.27 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 146.13 34.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 56.36 25.17 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -70.55 -175.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.87 100.85 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.865 HD13 ' CD2' ' A' ' 43' ' ' LEU . 13.4 mt -93.31 121.99 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.651 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.4 ' HB3' HD13 ' B' ' 28' ' ' LEU . 84.8 m-70 -75.68 125.39 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.027 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.71 HD11 ' NE2' ' A' ' 41' ' ' GLN . 4.5 tt -108.45 142.02 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.3 t -127.58 95.7 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.752 ' CD2' HD13 ' A' ' 36' ' ' ILE . 12.2 mt -70.49 106.01 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -75.19 148.22 39.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 tp -88.12 120.52 29.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -111.98 86.79 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.09 52.27 0.16 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.477 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.545 ' O ' HG22 ' B' ' 23' ' ' THR . 25.4 m -98.33 33.17 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -84.88 -42.0 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.96 -46.18 62.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.446 ' O ' ' CE3' ' B' ' 30' ' ' TRP . 67.2 m-20 -60.2 -31.06 69.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.03 -19.67 1.14 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.694 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.501 HD21 HD12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -40.07 -69.05 0.14 Allowed 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -50.71 -21.85 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.72 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.446 ' CE3' ' O ' ' B' ' 26' ' ' ASP . 8.6 m-90 -90.31 11.01 22.62 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.954 ' CE2' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -110.07 12.91 23.42 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.666 0.27 . . . . 0.0 111.289 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -79.42 -51.09 9.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.62 -31.25 71.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.28 -36.34 74.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -94.24 16.21 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.3 72.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.854 0.359 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -100.52 127.51 46.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -135.8 31.55 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.31 -31.8 10.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.518 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.554 ' HG3' HG23 ' A' ' 3' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.809 0.338 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -72.91 81.17 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.554 HG23 ' HG3' ' A' ' 1' ' ' MET . 3.7 pt -96.09 150.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.587 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -106.64 112.47 25.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 0.0 111.139 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 30' ' ' ILE . 30.0 t -86.21 108.13 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.806 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.422 ' CB ' HG23 ' A' ' 12' ' ' THR . 10.0 tttm -96.13 128.69 43.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -90.19 -171.15 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.23 -58.01 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.016 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -56.27 -29.18 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.001 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.45 -3.64 9.5 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.801 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.779 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -56.74 111.33 0.98 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.916 0.389 . . . . 0.0 111.012 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -110.53 117.37 33.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.537 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.779 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.1 mm -115.52 140.62 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.097 0.475 . . . . 0.0 112.18 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.484 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.21 110.83 11.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.112 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -126.17 132.32 51.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.963 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.75 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -88.51 129.59 35.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.069 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 5.7 m -155.78 118.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.999 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.08 140.32 94.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.58 -27.98 62.88 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.474 2.116 . . . . 0.0 112.201 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.4 m -96.82 41.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.1 136.17 50.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -64.67 160.39 19.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.697 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.491 HD12 HD23 ' A' ' 50' ' ' LEU . 42.6 mm -58.64 -29.54 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 14.4 tt0 -59.59 -41.04 89.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 47.7 t30 -63.83 -30.84 71.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.138 0.494 . . . . 0.0 110.531 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 2.9 t -76.25 -58.1 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.976 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.834 ' HE2' HD13 ' A' ' 43' ' ' LEU . 26.9 mmtp -56.23 -24.36 41.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.85 -60.46 3.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.803 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HB2' HD11 ' A' ' 15' ' ' LEU . 16.7 mttm -60.68 -43.56 97.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.022 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 5' ' ' VAL . 69.6 mt -62.02 -30.04 47.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.184 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.3 tm0? -71.74 -39.52 70.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.513 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.63 -12.99 55.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.248 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.04 -29.69 12.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.644 0.259 . . . . 0.0 111.248 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -116.81 -36.45 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.42 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.43 28.61 7.05 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.311 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.729 HD13 HD22 ' A' ' 71' ' ' LEU . 36.0 mt -113.82 108.67 51.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.501 0.191 . . . . 0.0 111.132 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.97 153.66 8.41 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.392 2.061 . . . . 0.0 112.256 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.17 -63.35 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.522 2.148 . . . . 0.0 112.458 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -59.18 -21.28 59.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.382 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -71.92 -31.63 66.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.288 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.636 ' HB2' HD21 ' A' ' 69' ' ' LEU . 22.6 pt20 -128.16 135.04 49.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 111.234 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -96.56 175.17 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.715 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.834 HD13 ' HE2' ' A' ' 27' ' ' LYS . 5.7 tp -142.89 137.95 29.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.023 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.954 HD11 ' CE2' ' B' ' 31' ' ' TRP . 30.0 mt -138.59 141.09 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -152.26 130.81 12.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.55 38.0 29.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.187 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.43 26.1 70.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -122.32 141.02 51.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -80.42 117.43 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.597 HD23 HD23 ' A' ' 43' ' ' LEU . 4.3 mp -82.65 79.01 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -59.62 151.21 25.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -53.01 -29.45 29.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.09 61.1 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -146.93 145.13 29.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.746 0.308 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -83.21 178.69 7.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.4 mt -90.02 -40.64 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.224 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -57.25 -28.64 63.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.49 -30.04 70.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 71.2 m-85 -101.15 16.45 25.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 53.78 39.52 30.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.0 mt -78.16 117.2 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -103.24 -178.98 3.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.63 139.81 56.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 54.67 28.94 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -67.33 148.13 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.784 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.0 101.2 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 67' ' ' LEU . 15.6 mt -93.44 119.13 32.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.742 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.495 ' O ' HD12 ' A' ' 43' ' ' LEU . 54.4 m-70 -70.75 126.16 28.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 41' ' ' GLN . 3.4 tt -111.31 146.61 36.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.472 HG21 ' HE1' ' B' ' 31' ' ' TRP . 25.3 t -127.11 94.97 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.038 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.729 HD22 HD13 ' A' ' 36' ' ' ILE . 36.7 mt -73.34 103.3 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -74.42 157.11 36.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.37 -177.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -127.49 108.62 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.15 -169.12 32.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.497 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.849 0.356 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.0 -32.34 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -60.05 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -62.22 -31.27 71.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.002 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.7 -31.2 66.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.51 -29.21 70.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.657 HD22 ' HD2' ' A' ' 68' ' ' HIS . 15.4 tp -61.07 -46.53 90.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.683 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.78 -32.98 74.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -59.92 -27.95 67.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.683 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.457 ' NE1' HG11 ' A' ' 70' ' ' VAL . 1.3 t-105 -56.65 -23.77 43.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -55.91 -31.28 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.1 p -85.02 -38.65 18.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -34.63 76.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -94.66 16.33 15.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.264 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.04 31.19 3.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.799 0.333 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -118.84 35.7 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -99.3 -31.82 11.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -47.19 14.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.546 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.474 ' CE ' HD22 ' A' ' 56' ' ' LEU . 8.8 ttt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -96.04 114.19 25.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.3 pt -103.74 176.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.63 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -125.84 112.85 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.106 0.479 . . . . 0.0 111.277 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.518 HG21 HD23 ' A' ' 15' ' ' LEU . 45.6 t -89.06 107.68 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.594 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' CB ' HG23 ' A' ' 12' ' ' THR . 1.6 ttpm? -89.81 142.42 27.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.3 p -104.96 163.89 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.804 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -57.78 -46.08 85.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.853 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -29.22 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.67 58.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.448 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.74 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -135.49 111.63 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 111.044 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.63 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -107.13 115.84 30.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.262 179.541 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.74 HD11 ' HE2' ' A' ' 11' ' ' LYS . 28.4 mm -114.11 142.35 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.473 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -71.3 115.6 10.64 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.562 178.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.674 HD11 ' HD2' ' A' ' 29' ' ' LYS . 5.5 tp -130.1 113.4 14.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.912 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' N ' HD12 ' A' ' 15' ' ' LEU . 17.5 tp10 -82.27 119.04 23.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.151 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.956 HG11 HG13 ' A' ' 26' ' ' VAL . 8.2 m -143.34 120.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.68 155.41 21.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.11 -26.9 83.41 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.55 2.167 . . . . 0.0 112.053 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -97.39 26.75 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.757 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -99.55 109.94 22.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.664 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -57.97 160.16 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.694 HD12 HD23 ' A' ' 50' ' ' LEU . 45.1 mm -55.95 -37.05 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 18.2 tt0 -59.91 -41.53 91.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.661 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 8.9 t-20 -66.93 -32.44 73.69 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.299 0.571 . . . . 0.0 110.477 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.956 HG13 HG11 ' A' ' 17' ' ' VAL . 2.5 t -74.75 -55.23 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.596 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.77 ' HE3' HD13 ' A' ' 43' ' ' LEU . 6.1 mmtm -57.84 -25.24 60.42 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 176.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -61.91 -57.74 10.61 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.72 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.674 ' HD2' HD11 ' A' ' 15' ' ' LEU . 21.5 mttm -60.2 -38.82 84.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.149 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.443 ' CG1' HD22 ' A' ' 15' ' ' LEU . 82.3 mt -66.23 -30.8 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.466 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -71.59 -40.58 69.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.806 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.2 -15.64 40.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.422 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CE ' HD13 ' A' ' 15' ' ' LEU . 8.2 mtmm -91.88 -35.2 14.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.686 0.279 . . . . 0.0 111.249 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.58 -27.89 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.338 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.65 30.96 7.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.358 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.758 HD13 HD22 ' A' ' 71' ' ' LEU . 26.9 mt -123.19 108.36 32.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.577 0.227 . . . . 0.0 111.2 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.46 152.96 11.15 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.558 2.172 . . . . 0.0 112.311 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.92 -54.77 4.52 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.579 2.186 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.73 -29.9 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -59.76 -54.34 47.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.559 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.3 pp0? -120.73 135.37 55.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -98.47 -177.42 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.674 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.943 HD23 HD22 ' A' ' 50' ' ' LEU . 1.4 tp -145.1 154.1 42.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.167 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.508 HD12 ' C ' ' A' ' 43' ' ' LEU . 3.8 mp -145.65 152.56 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 67' ' ' LEU . 13.0 t80 -161.68 137.21 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.3 35.16 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.69 26.64 72.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.508 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -128.22 125.17 38.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.59 110.25 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.943 HD22 HD23 ' A' ' 43' ' ' LEU . 6.4 mp -63.87 113.78 3.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -70.05 -166.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -106.34 30.26 6.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.81 32.17 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.453 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -109.7 144.93 37.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.8 147.3 27.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.836 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.5 mp -56.42 -33.38 65.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.035 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.5 t -57.4 -27.82 62.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.734 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.96 -41.62 11.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.786 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 3.0 m-85 -76.1 -11.27 59.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 m120 69.63 39.53 1.52 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.836 ' HB ' HD23 ' A' ' 56' ' ' LEU . 51.2 mt -87.14 99.51 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.804 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.65 -170.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.76 155.13 24.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 48.32 27.86 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.228 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 m -74.86 -178.86 3.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -121.77 99.9 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.885 HD13 ' CD2' ' A' ' 43' ' ' LEU . 12.2 mt -89.82 126.54 35.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.487 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.657 ' HD2' HD22 ' B' ' 28' ' ' LEU . 16.1 m80 -76.89 118.73 19.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.008 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' A' ' 43' ' ' LEU . 5.4 tt -103.97 135.24 45.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.708 ' HA ' HD12 ' A' ' 8' ' ' LEU . 39.7 t -116.58 100.12 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.758 HD22 HD13 ' A' ' 36' ' ' ILE . 2.0 mt -80.49 112.61 17.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -72.4 92.85 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.68 150.44 36.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -92.64 -178.1 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.49 118.99 1.79 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.488 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.728 0.299 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.04 -29.85 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.061 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -60.0 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -28.48 66.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -38.58 78.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.059 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -59.47 -33.92 71.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.591 HD21 ' CE1' ' A' ' 68' ' ' HIS . 9.6 tp -62.6 -53.6 52.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.654 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -60.99 -30.78 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.472 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -59.49 -32.13 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.533 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.565 ' CE2' HG11 ' A' ' 70' ' ' VAL . 1.3 t90 -78.98 -28.78 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -31.19 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.6 p -87.69 -31.51 19.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.79 -34.78 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.562 ' O ' HD11 ' A' ' 73' ' ' LEU . 3.7 mt-10 -79.71 -31.14 41.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.87 78.56 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -124.05 136.28 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.93 32.24 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -136.52 -53.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.507 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.806 0.336 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.629 ' HG2' HG22 ' A' ' 14' ' ' THR . 2.8 tt0 -101.83 111.54 23.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.692 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 pt -103.83 173.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.627 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -119.53 110.38 16.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.149 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.556 HG13 HD11 ' A' ' 43' ' ' LEU . 43.8 t -86.27 106.42 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.48 ' HB2' HG23 ' A' ' 12' ' ' THR . 15.8 tttp -93.72 131.75 38.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -93.39 159.77 15.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -58.56 -33.12 69.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -71.27 -30.56 66.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.97 60.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.829 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -139.5 105.06 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.955 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.627 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -103.46 110.98 23.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.394 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.829 HD11 ' HE2' ' A' ' 11' ' ' LYS . 38.5 mm -113.49 142.74 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.998 0.428 . . . . 0.0 112.146 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.629 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -75.25 117.14 16.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.045 179.352 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.739 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -134.77 118.94 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.684 -179.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.535 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.6 tm-20 -80.4 124.23 28.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.158 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.926 HG11 HG13 ' A' ' 26' ' ' VAL . 8.3 m -141.59 120.3 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.014 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.88 143.63 87.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.471 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 32.8 Cg_endo -64.65 -29.66 60.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.491 2.127 . . . . 0.0 112.298 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 t -95.11 43.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.91 148.11 49.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.7 p -76.08 172.96 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.773 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.637 HG22 ' HG2' ' A' ' 27' ' ' LYS . 37.0 mm -66.38 -30.62 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.626 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 2.8 mt-10 -54.56 -43.79 72.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.576 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 28.6 t-20 -65.82 -30.84 71.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.076 0.465 . . . . 0.0 110.79 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.926 HG13 HG11 ' A' ' 17' ' ' VAL . 3.5 t -74.91 -59.31 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.053 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HG2' HG22 ' A' ' 23' ' ' ILE . 9.9 mmtp -56.9 -23.86 47.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -63.45 -57.76 9.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.825 178.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HB2' HD11 ' A' ' 15' ' ' LEU . 22.0 mttm -62.99 -42.55 99.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.016 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.533 HD11 HG21 ' A' ' 5' ' ' VAL . 71.4 mt -63.15 -28.1 44.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.325 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -71.12 -54.08 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.539 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.37 -21.43 65.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.66 -74.58 0.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.895 0.379 . . . . 0.0 111.15 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -69.97 -30.86 68.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.39 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.23 28.56 8.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.345 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.983 HD13 HD21 ' A' ' 71' ' ' LEU . 45.6 mt -122.9 114.52 29.62 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.49 0.186 . . . . 0.0 111.207 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HG2' ' CG ' ' A' ' 40' ' ' GLN . 34.3 Cg_endo -65.51 152.51 81.65 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.282 1.988 . . . . 0.0 112.188 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.8 Cg_exo -59.16 -26.19 80.82 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.643 2.229 . . . . 0.0 112.546 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.38 -1.63 50.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.654 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 8.6 mm100 -109.28 -26.63 9.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.688 0.28 . . . . 0.0 111.283 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.723 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.9 pt20 -127.97 164.61 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 111.223 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -132.35 171.14 14.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.622 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 69' ' ' LEU . 3.5 tp -137.71 149.53 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.481 HD11 ' CZ3' ' B' ' 31' ' ' TRP . 4.1 mp -143.5 138.93 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -137.54 114.44 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.41 29.51 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.69 -26.3 20.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.567 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.46 136.07 56.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.354 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.41 112.65 21.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 23' ' ' ILE . 6.5 mp -86.58 74.64 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.37 169.23 18.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.59 64.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.52 36.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 5.1 mmp_? -137.29 140.05 41.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.788 0.328 . . . . 0.0 110.744 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.12 167.4 21.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.9 mt -88.14 -61.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -25.57 12.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.173 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -63.86 -31.37 72.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.8 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 20.5 m-85 -99.08 5.49 46.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.339 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 59.54 70.04 0.67 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.912 0.387 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -109.07 97.53 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -74.7 -168.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.19 151.06 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.97 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 53.91 26.79 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.7 m -71.22 137.27 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.726 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.1 101.26 12.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 HD23 ' A' ' 43' ' ' LEU . 15.1 mt -93.38 122.43 35.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.694 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.591 ' CE1' HD21 ' B' ' 28' ' ' LEU . 0.5 OUTLIER -74.32 114.52 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 -179.678 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 41' ' ' GLN . 5.0 tt -96.18 148.75 22.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.675 ' HA ' HD12 ' A' ' 8' ' ' LEU . 22.9 t -127.88 94.9 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.983 HD21 HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -72.25 103.97 3.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.762 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -59.07 169.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.562 HD11 ' O ' ' B' ' 35' ' ' GLU . 7.1 mp -60.23 174.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -72.63 145.08 47.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.36 168.2 34.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.467 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.788 0.327 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.7 p -110.07 -29.29 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -57.93 -55.76 30.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.31 -20.79 57.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -53.2 -58.44 7.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.213 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' B' ' 28' ' ' LEU . 11.3 p90 -67.37 -31.11 71.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 21.4 tp -63.1 -30.65 71.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -56.64 -30.44 63.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.755 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.448 ' CH2' ' CG ' ' B' ' 34' ' ' GLU . 50.5 t90 -59.98 -32.61 71.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.589 ' CD1' HG11 ' A' ' 70' ' ' VAL . 3.7 t-105 -60.35 -31.36 70.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -60.13 -42.9 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.88 -30.56 50.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.448 ' CG ' ' CH2' ' B' ' 30' ' ' TRP . 0.2 OUTLIER -58.32 -36.14 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.939 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -82.58 -30.95 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.84 96.34 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -143.59 166.0 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -138.98 32.2 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ttm -106.4 -66.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.538 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.773 0.321 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.07 90.73 8.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.606 HG12 HG22 ' A' ' 17' ' ' VAL . 5.7 pt -88.15 172.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.511 ' CD1' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.84 101.53 7.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 0.0 111.172 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.734 HG11 HD12 ' A' ' 69' ' ' LEU . 43.4 t -78.67 108.79 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.657 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HB2' HG23 ' A' ' 12' ' ' THR . 17.5 tttt -97.75 127.46 43.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.006 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.2 p -88.51 161.61 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 70' ' ' VAL . 1.3 mt -59.52 -39.74 84.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 p -61.09 -30.96 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.4 50.39 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.57 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.836 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -130.69 111.55 12.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.511 HG22 ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -109.27 120.22 41.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.466 179.771 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.836 HD11 ' HE2' ' A' ' 11' ' ' LYS . 43.2 mm -121.35 141.06 43.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.476 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.37 110.89 11.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.087 179.212 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.707 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -125.18 123.21 39.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.747 -179.369 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.599 ' N ' HD13 ' A' ' 15' ' ' LEU . 42.1 tp10 -79.54 121.85 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.126 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.993 HG11 HG13 ' A' ' 26' ' ' VAL . 18.0 m -140.34 118.88 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -68.1 145.57 97.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 32.5 Cg_exo -57.46 -46.14 29.54 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.455 2.103 . . . . 0.0 112.219 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -62.32 -35.41 78.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -58.68 146.98 34.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 26' ' ' VAL . 19.7 p -88.5 177.16 6.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.645 HD12 HD23 ' A' ' 50' ' ' LEU . 39.9 mm -60.96 -33.46 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.5 tt0 -58.46 -41.55 85.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.58 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 7.1 t-20 -64.56 -30.92 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.25 0.547 . . . . 0.0 110.349 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.993 HG13 HG11 ' A' ' 17' ' ' VAL . 3.4 t -76.41 -57.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.888 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HE2' HD13 ' A' ' 43' ' ' LEU . 27.4 mmtp -55.99 -24.95 41.92 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.8 -62.14 1.84 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.07 178.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.634 ' HZ3' ' HA ' ' A' ' 17' ' ' VAL . 16.2 mttt -60.69 -43.45 97.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.914 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 5' ' ' VAL . 82.8 mt -62.44 -27.23 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.377 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.88 -40.59 60.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.641 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -84.01 -11.94 56.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.411 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.16 -29.3 13.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.676 0.274 . . . . 0.0 111.178 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -118.62 -37.13 3.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.319 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.07 29.11 5.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.36 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.82 HD13 ' CD2' ' A' ' 71' ' ' LEU . 28.6 mt -111.66 105.73 56.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 0.0 111.043 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.19 148.41 18.36 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.492 2.128 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.7 -28.17 74.33 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.478 2.119 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.22 27.52 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.085 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.2 -41.15 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.675 ' OE1' HD11 ' A' ' 69' ' ' LEU . 24.0 pt20 -109.8 157.97 18.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.044 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -129.14 132.53 47.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.615 HD13 ' HE2' ' A' ' 27' ' ' LYS . 2.3 tp -99.24 145.13 27.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.3 mt -139.85 134.86 38.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.052 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -141.04 125.99 18.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.52 30.76 17.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.48 25.75 64.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -119.08 139.24 52.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -85.05 107.7 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.645 HD23 HD12 ' A' ' 23' ' ' ILE . 9.3 mp -73.35 76.96 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -59.59 151.69 23.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.15 -30.37 59.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.78 55.3 1.02 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -146.59 170.17 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.332 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 p -116.63 167.3 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.4 mt -77.21 -42.14 38.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.247 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -55.11 -27.89 48.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.22 -31.91 68.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 66.2 m-85 -95.74 -4.41 44.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.428 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 62.66 60.28 1.34 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.8 mt -99.62 135.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 3' ' ' ILE . 6.8 pt20 -115.61 -177.62 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 144.32 57.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 57.68 29.12 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 3' ' ' ILE . 4.9 m -74.94 127.16 32.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.76 100.97 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.547 HD13 ' CD2' ' A' ' 43' ' ' LEU . 13.7 mt -97.25 118.02 32.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -70.8 126.63 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.042 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.734 HD12 HG11 ' A' ' 5' ' ' VAL . 1.9 tt -105.68 151.98 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.589 HG11 ' CD1' ' B' ' 31' ' ' TRP . 21.4 t -136.83 95.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.046 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.82 ' CD2' HD13 ' A' ' 36' ' ' ILE . 15.7 mt -73.05 122.44 21.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -92.56 149.18 21.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 73' ' ' LEU . 8.1 mp -87.1 178.18 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -162.48 100.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.78 -131.86 5.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.505 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 42.9 p -106.38 -65.62 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -74.78 -45.54 42.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.96 -30.06 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.94 -52.27 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CZ3' ' B' ' 30' ' ' TRP . 46.3 t80 -69.68 -23.69 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.54 -34.96 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.701 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -32.58 70.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.491 ' CZ3' ' CE2' ' B' ' 27' ' ' PHE . 5.2 t90 -59.36 -30.5 68.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.56 ' HE1' HG11 ' A' ' 70' ' ' VAL . 4.1 t-105 -81.02 -30.88 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.792 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -70.86 -29.76 65.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.6 p -70.1 -48.78 56.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -55.88 -30.32 61.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -94.56 -28.64 15.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.65 83.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -96.5 99.35 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -127.74 31.7 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -96.32 -39.13 9.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.481 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 ttt . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.431 ' HB2' HG22 ' A' ' 14' ' ' THR . 14.9 pt20 -105.85 108.68 20.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -93.71 168.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.648 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -120.18 108.0 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.038 0.447 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 69' ' ' LEU . 32.2 t -82.87 105.27 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.97 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.577 ' HB2' HG23 ' A' ' 12' ' ' THR . 5.4 ttpp -93.57 128.87 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.0 p -91.39 166.83 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -58.81 -47.26 85.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.3 p -60.65 -30.8 70.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.18 59.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.598 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.821 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -130.17 101.28 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.964 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.648 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -101.37 108.78 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.821 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.7 mm -111.55 140.68 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.048 0.451 . . . . 0.0 112.145 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.98 110.95 10.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.271 179.492 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD12 HG13 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -127.07 118.51 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.609 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.498 ' N ' HD13 ' A' ' 15' ' ' LEU . 6.2 tm-20 -83.72 131.52 34.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.184 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.972 HG11 HG13 ' A' ' 26' ' ' VAL . 3.9 m -150.91 122.06 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.58 139.66 97.64 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.2 -35.07 90.17 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.36 2.04 . . . . 0.0 112.271 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -33.16 65.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.51 131.78 51.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.1 p -65.49 173.51 2.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.584 HG21 ' O ' ' A' ' 50' ' ' LEU . 35.7 mm -64.33 -31.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.59 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 8.0 tt0 -58.96 -40.56 85.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.063 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 17.3 t-20 -64.4 -30.92 71.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.076 0.465 . . . . 0.0 110.584 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.972 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -76.27 -57.03 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.973 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 9.1 mmtm -57.99 -22.81 51.25 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -65.61 -57.01 9.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.838 -1.073 . . . . 0.0 109.594 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HB2' HD11 ' A' ' 15' ' ' LEU . 25.4 mttm -63.87 -44.07 94.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.964 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 HG21 ' A' ' 5' ' ' VAL . 67.1 mt -61.7 -32.71 54.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.236 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.74 -56.06 14.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.36 -25.73 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -74.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.258 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -20.17 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.498 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.55 29.74 23.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.194 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.773 HD13 HD22 ' A' ' 71' ' ' LEU . 13.9 mt -123.7 105.11 33.01 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.54 0.209 . . . . 0.0 111.164 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.9 Cg_exo -52.67 151.77 18.4 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.385 2.056 . . . . 0.0 112.272 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.9 Cg_exo -54.4 -46.08 36.15 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.547 2.165 . . . . 0.0 112.321 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -64.7 -30.98 72.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -65.87 -52.47 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.546 ' HB2' HD21 ' A' ' 69' ' ' LEU . 2.7 pp0? -120.31 138.22 53.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.37 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -96.3 -176.37 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.621 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' A' ' 67' ' ' LEU . 6.6 tp -149.67 134.31 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mt -128.19 146.68 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.634 ' CD1' HD23 ' A' ' 67' ' ' LEU . 7.4 t80 -153.84 121.77 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.88 40.65 32.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.23 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.89 24.15 75.74 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . 70.8 mmtt -115.15 140.52 49.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -91.37 104.29 16.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' HG ' ' A' ' 43' ' ' LEU . 9.8 mp -69.34 70.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.12 153.24 42.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -70.41 65.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.92 39.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -148.36 164.1 35.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.1 p -102.28 147.22 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.3 mt -59.1 -35.3 73.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.6 t -56.78 -29.25 62.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -35.31 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 29.9 m-85 -88.79 -9.58 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.337 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m120 63.47 63.88 0.85 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.424 HG12 ' CD2' ' A' ' 45' ' ' PHE . 29.8 mt -106.2 100.12 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -77.01 -169.34 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 143.21 46.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 57.54 28.21 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -69.46 133.82 48.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.745 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.36 102.18 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.723 ' HB3' HD11 ' A' ' 43' ' ' LEU . 22.9 mt -94.69 124.83 38.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.642 ' O ' HD12 ' A' ' 43' ' ' LEU . 8.0 m170 -76.97 107.62 9.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.503 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 5' ' ' VAL . 2.4 tt -86.59 147.34 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.56 HG11 ' HE1' ' B' ' 31' ' ' TRP . 24.1 t -130.9 94.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.937 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.773 HD22 HD13 ' A' ' 36' ' ' ILE . 7.5 mt -74.01 122.18 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 118.66 3.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 tp -107.88 138.72 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -75.21 163.42 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.97 -105.27 0.19 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.493 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.821 0.343 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.611 HG22 ' HB2' ' B' ' 26' ' ' ASP . 0.2 OUTLIER -109.8 30.66 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.434 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 0.0 OUTLIER -67.68 -59.46 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -74.23 -20.56 60.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.611 ' HB2' HG22 ' B' ' 23' ' ' THR . 0.6 OUTLIER -53.67 -62.75 1.45 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.098 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' B' ' 24' ' ' GLN . 11.1 p90 -65.46 -28.11 68.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 23.9 tp -58.73 -28.83 66.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.042 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -32.89 63.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.803 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.415 ' CZ3' ' HB2' ' B' ' 34' ' ' GLU . 63.2 t90 -59.96 -28.02 67.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -56.13 -24.04 38.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -56.5 -41.36 76.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.903 0.382 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 2.2 p -86.16 -31.8 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.415 ' HB2' ' CZ3' ' B' ' 30' ' ' TRP . 42.0 tp10 -59.65 -42.24 92.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -72.86 -30.72 64.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -45.38 84.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.33 154.61 38.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -175.76 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ttp -105.04 -35.22 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.291 -1.283 . . . . 0.0 112.423 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HE3' HD22 ' A' ' 56' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -103.51 99.32 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.52 HD13 HD21 ' A' ' 56' ' ' LEU . 19.8 pt -97.32 156.31 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.641 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -105.95 109.16 21.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.972 0.415 . . . . 0.0 111.245 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.577 HG21 HD11 ' A' ' 30' ' ' ILE . 38.9 t -83.79 106.12 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.731 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HB2' HG23 ' A' ' 12' ' ' THR . 8.7 tttt -91.57 139.01 31.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.95 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -103.05 170.77 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.5 OUTLIER -59.68 -48.31 82.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.3 p -59.32 -30.38 68.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.47 42.93 0.61 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.811 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -113.29 107.9 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.641 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -107.62 112.09 24.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.44 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.811 HD11 ' HE2' ' A' ' 11' ' ' LYS . 37.0 mm -113.39 141.71 28.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 112.156 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.47 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -77.81 110.8 13.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.06 179.27 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.884 HD12 HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -122.04 123.84 42.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 -179.383 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.604 ' N ' HD13 ' A' ' 15' ' ' LEU . 3.9 tp10 -81.26 115.26 20.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.379 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.907 HG11 HG13 ' A' ' 26' ' ' VAL . 11.2 m -143.71 118.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.87 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.09 154.47 29.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.26 -31.17 93.03 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.544 2.163 . . . . 0.0 112.053 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -96.86 26.22 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -97.49 113.34 25.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -56.93 157.45 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.018 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 HD23 ' A' ' 50' ' ' LEU . 51.3 mm -55.32 -38.19 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.107 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 3.6 mt-10 -59.52 -42.16 91.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.73 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 31.0 t-20 -66.99 -32.4 73.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.204 0.526 . . . . 0.0 110.415 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.907 HG13 HG11 ' A' ' 17' ' ' VAL . 3.0 t -73.83 -55.51 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.685 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.908 ' CE ' HD22 ' A' ' 43' ' ' LEU . 4.4 mmtm -56.82 -24.97 54.79 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -61.77 -60.25 3.94 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.717 178.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -59.9 -43.2 94.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.989 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.577 HD11 HG21 ' A' ' 5' ' ' VAL . 64.2 mt -62.52 -25.93 39.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.434 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -78.18 -36.75 47.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.754 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -85.18 -13.37 50.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.443 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.56 -33.51 10.96 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.709 0.29 . . . . 0.0 111.254 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.54 -27.59 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.474 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.76 28.94 14.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.169 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.875 HD13 HD21 ' A' ' 71' ' ' LEU . 31.0 mt -113.34 111.95 49.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.543 0.211 . . . . 0.0 111.142 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.9 145.98 38.43 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.396 2.064 . . . . 0.0 112.237 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.9 -37.81 92.89 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.497 2.131 . . . . 0.0 112.373 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.4 -30.58 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -59.12 -30.66 68.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.821 ' OE1' HD11 ' A' ' 69' ' ' LEU . 26.8 pt20 -131.39 162.83 29.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.121 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.16 166.81 14.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.679 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.908 HD22 ' CE ' ' A' ' 27' ' ' LYS . 7.4 tp -133.84 143.8 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.396 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.1 mt -139.6 144.39 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -142.27 123.77 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.77 31.39 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.233 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.09 25.38 62.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.439 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -122.49 113.5 19.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.17 103.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.611 ' CD2' HD23 ' A' ' 43' ' ' LEU . 7.8 mp -59.96 106.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.481 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -58.92 -163.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -96.28 -28.68 14.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.24 52.54 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.586 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -118.06 138.42 52.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.3 p -101.46 145.91 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.032 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.785 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.3 mp -57.75 -38.16 74.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.2 t -55.4 -29.33 58.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.757 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -90.12 -40.32 12.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.681 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -12.44 60.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.218 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 72.73 39.96 0.64 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.778 0.323 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.785 ' HB ' HD23 ' A' ' 56' ' ' LEU . 38.9 mt -93.68 100.4 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.5 -176.95 1.36 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.75 149.49 43.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 54.15 24.73 5.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -72.34 150.27 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.727 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -90.83 101.78 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.045 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 HD12 ' A' ' 3' ' ' ILE . 16.5 mt -95.72 117.45 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.698 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.533 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.6 m170 -67.09 137.45 56.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.821 HD11 ' OE1' ' A' ' 41' ' ' GLN . 9.1 tt -123.38 138.31 54.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.573 ' N ' HD23 ' A' ' 69' ' ' LEU . 36.0 t -117.69 95.01 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.875 HD21 HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.38 118.24 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.57 79.38 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -95.84 130.85 42.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 mmm-85 -142.81 80.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.59 53.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.544 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 23.4 m -67.03 -29.54 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -58.54 -34.67 71.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -69.24 -30.79 69.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -30.17 26.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -59.28 -33.35 70.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' B' ' 28' ' ' LEU . 10.1 tp -62.1 -52.75 62.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.659 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -31.65 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -59.39 -24.88 63.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.651 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.426 ' CD1' ' HG2' ' B' ' 35' ' ' GLU . 1.9 t90 -93.07 16.97 11.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.272 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -68.18 0.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.5 m -99.7 22.1 11.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.39 -31.46 22.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.426 ' HG2' ' CD1' ' B' ' 31' ' ' TRP . 4.8 mm-40 -66.73 -31.75 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.592 ' CB ' HD22 ' A' ' 73' ' ' LEU . . . -73.94 -34.89 64.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -63.41 177.72 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.7 -30.5 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 10.2 mtp 60.54 74.27 0.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.598 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ttt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.846 0.355 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.56 103.48 15.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.76 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 67' ' ' LEU . 13.9 pt -97.09 165.53 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.687 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -113.57 107.83 16.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 111.099 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.748 HG11 HD12 ' A' ' 69' ' ' LEU . 23.2 t -82.22 106.46 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.969 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.545 ' HB2' HG23 ' A' ' 12' ' ' THR . 4.3 tttt -95.83 125.0 40.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 69' ' ' LEU . 34.2 p -88.83 -177.48 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.03 -54.76 42.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.1 p -56.43 -27.6 57.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.73 29.2 2.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.832 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -89.82 101.73 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.687 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -101.14 107.71 19.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.479 179.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.832 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.0 mm -111.0 139.49 34.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.017 0.437 . . . . 0.0 111.981 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.481 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.3 110.79 11.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.11 179.394 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.764 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -123.96 124.15 41.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.863 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.627 ' N ' HD13 ' A' ' 15' ' ' LEU . 15.2 tp10 -81.71 123.69 28.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.158 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 5.5 m -148.63 122.84 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.894 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.6 142.84 94.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 52.5 Cg_exo -54.49 -29.89 61.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.496 2.131 . . . . 0.0 112.261 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.3 m -78.86 -30.83 45.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -58.78 139.79 55.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 26' ' ' VAL . 37.7 p -81.49 173.94 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -59.52 -37.63 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.034 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 5.2 tt0 -57.58 -41.44 81.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 15.3 t-20 -66.0 -30.93 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.17 0.51 . . . . 0.0 110.402 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 3.2 t -76.22 -57.01 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.665 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HE3' HD22 ' A' ' 43' ' ' LEU . 9.7 mmtm -56.96 -24.26 51.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.68 -59.73 4.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.732 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.758 ' NZ ' HG12 ' A' ' 17' ' ' VAL . 10.7 mttt -61.76 -44.03 97.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.824 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.404 ' CG1' ' HG ' ' A' ' 15' ' ' LEU . 80.9 mt -61.88 -26.49 40.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.376 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.24 -39.73 53.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.61 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -83.57 -12.06 56.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.308 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -99.4 -28.96 13.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.603 0.239 . . . . 0.0 111.307 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -119.63 -35.87 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.428 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.83 28.46 6.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.255 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.024 HD13 HD21 ' A' ' 71' ' ' LEU . 25.2 mt -107.45 107.13 59.98 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.587 0.232 . . . . 0.0 111.145 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.45 148.1 27.52 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.449 2.099 . . . . 0.0 112.265 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.57 -32.83 84.56 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.545 2.163 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.55 31.25 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.066 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -120.53 -37.37 3.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.589 ' OE1' HD11 ' A' ' 69' ' ' LEU . 24.5 pt20 -112.71 176.5 4.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.39 113.86 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.618 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 69' ' ' LEU . 4.6 tp -90.61 148.99 22.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 70' ' ' VAL . 4.0 mp -143.71 148.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.971 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -166.06 139.83 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.55 40.98 29.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.65 25.98 61.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 16.8 mttp -127.98 130.3 48.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.777 0.323 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -76.75 112.29 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mp -72.04 77.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.771 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.99 157.09 23.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -60.17 143.7 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.3 3.28 72.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -106.91 147.38 29.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 p -91.12 152.84 20.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.157 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.9 mt -66.26 -46.72 76.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.226 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -26.66 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -70.49 -31.21 68.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.674 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 36.0 m-85 -94.37 -16.0 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.22 68.8 0.39 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.923 0.392 . . . . 0.0 110.817 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -107.75 104.43 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' O ' HG22 ' A' ' 3' ' ' ILE . 66.7 mm-40 -72.41 -177.77 2.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 146.67 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 55.81 24.38 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.4 m -69.73 140.23 53.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.752 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.24 100.26 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.987 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.548 HD12 HD12 ' A' ' 3' ' ' ILE . 21.5 mt -91.22 118.01 30.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -69.76 113.31 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.751 ' HA ' HD12 ' A' ' 43' ' ' LEU . 1.7 tt -95.48 142.09 28.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.561 ' N ' HD23 ' A' ' 69' ' ' LEU . 27.7 t -126.81 97.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.024 HD21 HD13 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -77.9 116.68 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.27 159.92 11.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.592 HD22 ' CB ' ' B' ' 36' ' ' ALA . 6.7 tp -66.6 149.66 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -147.49 123.47 10.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.8 -96.65 1.98 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.545 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 16.2 p -107.43 31.07 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.434 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 2.7 pt20 -78.9 -46.75 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.85 -20.41 65.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -54.04 -44.86 71.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' B' ' 24' ' ' GLN . 15.4 p90 -90.03 -29.21 18.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.047 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -58.19 -29.14 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -52.9 -28.39 23.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -58.35 -30.41 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -94.84 -29.55 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -58.1 -31.26 66.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 2.5 p -84.94 -31.19 23.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.7 -35.24 74.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -87.49 -31.34 20.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.93 91.48 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -126.44 165.71 18.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -98.28 34.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 6.2 mtt 60.13 34.34 21.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.36 -1.244 . . . . 0.0 112.474 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.77 0.319 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.437 ' HB2' HG22 ' A' ' 14' ' ' THR . 0.8 OUTLIER -103.14 96.55 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 62' ' ' GLN . 12.3 pt -88.59 165.75 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.773 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.619 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -121.23 115.7 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.039 0.447 . . . . 0.0 111.286 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 30' ' ' ILE . 38.7 t -91.21 104.7 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.657 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.552 ' HB2' HG23 ' A' ' 12' ' ' THR . 6.1 tttp -93.2 132.51 37.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.405 HG22 ' HB3' ' A' ' 69' ' ' LEU . 25.3 p -94.13 157.37 16.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.595 ' CD1' HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -57.92 -28.43 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.1 -29.7 58.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.533 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.88 54.57 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.715 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -132.81 102.14 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -103.56 110.1 22.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.267 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.715 HD11 ' HE3' ' A' ' 11' ' ' LYS . 39.8 mm -111.47 141.05 28.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.494 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.61 110.86 11.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.186 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -124.8 126.68 46.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.605 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.656 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -87.77 129.76 35.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.367 -179.304 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.977 HG11 HG13 ' A' ' 26' ' ' VAL . 5.0 m -153.83 120.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.01 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.02 143.69 83.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.623 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.57 -27.73 15.11 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.44 2.093 . . . . 0.0 112.28 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -88.58 -21.38 24.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.958 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.62 115.59 2.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.659 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -59.91 164.13 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 59' ' ' TYR . 44.9 mm -56.39 -40.88 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -57.87 -41.92 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 16.7 t-20 -64.84 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.129 0.49 . . . . 0.0 110.663 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.977 HG13 HG11 ' A' ' 17' ' ' VAL . 2.4 t -75.94 -58.38 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.9 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.647 ' CE ' HD23 ' A' ' 43' ' ' LEU . 5.6 mmtm -56.1 -25.42 45.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -62.61 -57.84 9.67 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.627 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HB2' HD11 ' A' ' 15' ' ' LEU . 20.3 mttm -62.44 -39.07 92.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.853 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.585 HD11 HG21 ' A' ' 5' ' ' VAL . 64.3 mt -64.71 -27.92 43.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.314 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -73.04 -50.86 20.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.618 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.36 -20.88 62.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.265 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -70.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.259 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.44 -24.14 60.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.507 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.49 27.07 23.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.233 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.717 HD13 HD21 ' A' ' 71' ' ' LEU . 35.0 mt -118.23 113.35 37.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.597 0.237 . . . . 0.0 111.08 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.45 156.96 3.62 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.447 2.098 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.32 52.93 4.49 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.779 2.319 . . . . 0.0 112.431 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -162.56 -44.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.83 -24.23 56.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.994 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.843 ' OE1' HD11 ' A' ' 69' ' ' LEU . 17.7 pt20 -121.28 136.43 54.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -100.01 108.89 21.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.711 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.649 ' HG ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -88.72 126.01 35.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.2 mt -124.53 149.04 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.525 ' HB3' HD11 ' A' ' 50' ' ' LEU . 87.3 t80 -153.32 132.78 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.18 41.16 29.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.39 25.22 66.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -136.15 115.27 12.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -59.87 121.83 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.649 HD22 ' HG ' ' A' ' 43' ' ' LEU . 7.1 mp -60.36 86.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.745 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.91 143.43 45.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -61.73 115.51 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.63 24.02 4.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.564 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -121.62 146.71 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.1 p -103.63 148.38 26.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.797 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.3 mp -56.79 -31.23 64.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -29.16 64.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -90.01 -42.66 11.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 50' ' ' LEU . 3.4 m-85 -72.2 -10.32 59.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.251 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t30 72.46 30.71 1.9 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.797 ' HB ' HD23 ' A' ' 56' ' ' LEU . 25.1 mt -85.39 100.72 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.877 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.508 ' O ' HG22 ' A' ' 3' ' ' ILE . 64.1 mm-40 -85.34 -172.82 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.63 142.9 54.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 56.42 25.39 9.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -61.52 -178.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.44 99.42 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.505 HD13 HD21 ' A' ' 50' ' ' LEU . 17.1 mt -94.55 121.96 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.749 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -77.97 115.22 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.213 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.843 HD11 ' OE1' ' A' ' 41' ' ' GLN . 8.6 tt -98.49 137.75 36.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.595 HG22 ' CD1' ' A' ' 8' ' ' LEU . 22.0 t -116.3 94.86 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.717 HD21 HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -72.28 113.13 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -84.71 150.04 25.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.25 125.18 22.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtm-85 -60.27 164.72 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.06 117.05 0.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.505 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.786 0.326 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -58.86 -29.45 66.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.409 ' O ' ' CD1' ' B' ' 27' ' ' PHE . 7.1 tt0 -59.32 -48.89 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.951 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -90.06 -24.18 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.65 -17.82 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.404 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' B' ' 24' ' ' GLN . 3.3 p90 -50.85 -36.15 36.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.758 0.313 . . . . 0.0 111.229 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -59.77 -31.74 69.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.92 -31.01 64.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.762 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.427 ' CZ2' ' HG3' ' B' ' 34' ' ' GLU . 28.6 t90 -64.86 -44.36 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.705 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.1 -31.12 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -32.48 70.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.87 -30.89 11.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.427 ' HG3' ' CZ2' ' B' ' 30' ' ' TRP . 2.3 tm-20 -59.44 -31.96 69.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.48 -30.82 14.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.74 37.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -93.1 -67.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -99.84 32.0 3.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 5.7 ttm 60.43 90.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.484 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.708 ' CE ' HD22 ' A' ' 56' ' ' LEU . 9.9 ttt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.803 0.335 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.611 ' HB3' HG22 ' A' ' 14' ' ' THR . 2.3 mt-30 -109.97 95.04 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.515 HG12 HG22 ' A' ' 17' ' ' VAL . 4.0 pt -83.92 139.81 17.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.5 103.82 15.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.074 0.464 . . . . 0.0 111.245 -179.605 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.687 HG21 HD11 ' A' ' 30' ' ' ILE . 46.1 t -77.73 105.75 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.382 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.753 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.9 tttp -103.33 134.3 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.003 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.416 HG22 ' HB3' ' A' ' 69' ' ' LEU . 4.7 p -85.93 -162.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.26 67.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.2 p 53.31 81.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.05 -35.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.406 -0.902 . . . . 0.0 113.032 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.795 ' HE2' HD11 ' A' ' 13' ' ' ILE . 2.1 tptt -150.43 148.65 29.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 111.615 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.753 HG23 ' HB2' ' A' ' 6' ' ' LYS . 1.2 m -147.04 122.28 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.705 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.795 HD11 ' HE2' ' A' ' 11' ' ' LYS . 45.7 mm -123.58 142.86 38.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.862 0.689 . . . . 0.0 112.862 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -79.68 110.88 15.44 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.742 178.695 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -122.49 132.15 54.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.013 -179.018 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.748 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -87.66 129.31 35.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.102 -179.489 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.084 HG11 HG13 ' A' ' 26' ' ' VAL . 5.7 m -154.64 122.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.013 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.32 145.48 67.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 54.1 Cg_exo -51.91 -28.18 30.51 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.48 2.12 . . . . 0.0 112.262 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.515 ' C ' HG22 ' A' ' 55' ' ' THR . 19.4 m -102.56 30.08 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -100.59 118.59 37.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.2 p -59.47 160.76 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.743 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.656 HD12 HD23 ' A' ' 50' ' ' LEU . 45.2 mm -57.54 -36.94 55.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.182 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -59.56 -41.56 90.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.871 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 33.5 t-20 -66.69 -31.11 71.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.231 0.539 . . . . 0.0 110.313 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.084 HG13 HG11 ' A' ' 17' ' ' VAL . 3.1 t -75.39 -56.5 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.611 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.822 ' CE ' HD22 ' A' ' 43' ' ' LEU . 9.4 mmtm -56.79 -25.33 55.28 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -62.42 -58.77 6.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.714 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HB2' HD11 ' A' ' 15' ' ' LEU . 27.7 mttm -60.73 -42.54 97.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.006 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.687 HD11 HG21 ' A' ' 5' ' ' VAL . 65.1 mt -62.42 -29.36 46.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.203 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.74 -40.28 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.476 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -81.82 -14.12 56.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.331 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -97.91 -40.98 8.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -103.52 -29.8 10.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.9 26.21 11.92 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.32 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.439 HD13 HD22 ' A' ' 71' ' ' LEU . 35.2 mt -117.78 127.63 26.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.63 0.252 . . . . 0.0 111.112 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 70.6 Cg_endo -74.82 145.51 32.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.421 2.081 . . . . 0.0 112.187 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.3 Cg_exo -57.77 -27.13 76.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.573 2.182 . . . . 0.0 112.432 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.62 -28.87 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.304 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.404 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 15.8 mm-40 -86.16 -47.34 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.132 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.643 ' HB2' HD21 ' A' ' 69' ' ' LEU . 20.3 pt20 -99.84 138.66 36.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.57 160.42 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.822 HD22 ' CE ' ' A' ' 27' ' ' LYS . 6.3 tp -121.43 147.56 45.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 mt -150.17 145.12 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -161.04 139.72 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.975 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.552 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . . . 57.18 40.07 28.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.34 25.12 62.25 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 12.3 mtmm -126.73 123.56 37.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.89 108.78 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.0 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.656 HD23 HD12 ' A' ' 23' ' ' ILE . 6.7 mp -66.28 77.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.705 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.5 160.24 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -69.94 66.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.52 41.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -133.25 137.21 45.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.515 HG22 ' C ' ' A' ' 20' ' ' SER . 2.9 p -97.44 143.62 27.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.846 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.4 mp -55.39 -30.71 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -30.71 66.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.64 -43.98 12.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 5.5 m-85 -76.22 -6.61 52.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 63.42 41.72 7.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.77 0.319 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.846 ' HB ' HD23 ' A' ' 56' ' ' LEU . 43.6 mt -86.18 99.96 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.933 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -75.15 -176.41 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.149 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -70.75 152.02 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 51.77 26.22 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.11 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -77.14 147.77 36.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.699 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.45 102.36 15.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.931 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.53 HD13 HD21 ' A' ' 43' ' ' LEU . 12.8 mt -94.44 118.52 31.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.486 ' O ' HD12 ' A' ' 43' ' ' LEU . 4.4 m-70 -62.53 131.82 50.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.955 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.677 HD12 HG11 ' A' ' 5' ' ' VAL . 3.8 tt -120.59 145.79 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' N ' HD23 ' A' ' 69' ' ' LEU . 23.6 t -127.1 94.93 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.446 HD23 HD21 ' A' ' 69' ' ' LEU . 11.0 mt -74.17 104.64 5.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -93.56 102.33 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.426 ' HA ' HD12 ' A' ' 73' ' ' LEU . 7.9 tp -90.92 107.36 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -59.91 155.89 15.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.04 -78.43 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.548 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.51 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.874 0.369 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.25 -31.42 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -81.22 -39.18 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.79 -20.45 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.464 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -46.73 -25.77 0.8 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.756 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.413 ' HA ' ' CE3' ' B' ' 30' ' ' TRP . 7.9 p90 -46.57 -29.29 1.74 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.759 0.314 . . . . 0.0 111.36 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.479 ' C ' HD12 ' B' ' 28' ' ' LEU . 4.1 pp -57.55 -29.28 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.061 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -27.64 62.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' B' ' 27' ' ' PHE . 24.9 m-90 -90.07 13.53 14.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.388 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.435 ' CD1' ' HG2' ' B' ' 35' ' ' GLU . 0.6 OUTLIER -94.6 16.91 14.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.657 0.265 . . . . 0.0 111.242 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -73.79 -68.88 0.47 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.834 0.35 . . . . 0.0 111.026 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 18.1 m -100.07 22.08 11.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.275 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.02 -41.53 11.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.435 ' HG2' ' CD1' ' B' ' 31' ' ' TRP . 2.2 mm-40 -60.17 -30.98 69.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.7 -31.73 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 60.56 36.03 19.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -107.88 -35.64 6.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -82.3 -50.08 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.499 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.818 0.342 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -96.3 96.44 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.528 HG12 HG22 ' A' ' 17' ' ' VAL . 5.6 pt -90.8 169.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.662 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -121.04 105.86 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 0.0 111.13 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.681 HG13 HD11 ' A' ' 43' ' ' LEU . 16.9 t -83.85 111.2 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.486 ' HB2' HG23 ' A' ' 12' ' ' THR . 16.1 tttt -97.68 127.02 43.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 p -87.36 -176.07 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.23 -56.67 19.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.6 p -55.9 -26.77 48.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.26 28.14 3.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.846 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -87.11 100.64 12.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.662 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -99.65 108.87 21.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.442 179.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.846 HD11 ' HE3' ' A' ' 11' ' ' LYS . 41.9 mm -112.0 141.84 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.992 0.425 . . . . 0.0 112.088 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.484 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.16 110.79 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.069 179.463 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -127.6 129.77 47.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.36 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.726 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.4 tp10 -85.55 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.168 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.037 HG11 HG13 ' A' ' 26' ' ' VAL . 5.6 m -154.04 119.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.976 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.56 145.84 67.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.486 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 29.7 Cg_endo -63.79 -27.88 67.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.427 2.085 . . . . 0.0 112.328 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 p -97.72 37.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -122.99 141.76 51.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.3 p -68.44 171.02 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.679 HD12 HD23 ' A' ' 50' ' ' LEU . 39.0 mm -66.89 -31.05 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 44.5 mt-10 -58.36 -40.98 83.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.561 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 27.4 t-20 -64.01 -30.89 71.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.159 0.504 . . . . 0.0 110.583 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.037 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -76.58 -57.92 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.98 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.764 ' HE2' HD13 ' A' ' 43' ' ' LEU . 5.2 mmtp -56.56 -23.6 41.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.57 -62.37 1.63 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.911 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' HD11 ' A' ' 15' ' ' LEU . 21.6 mttm -59.86 -42.98 94.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.067 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.654 HD11 HG21 ' A' ' 5' ' ' VAL . 78.6 mt -63.1 -29.91 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.307 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -71.6 -39.32 70.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.318 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.03 -14.7 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.245 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -97.19 -27.52 14.51 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.348 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.64 -39.02 2.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.377 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.28 28.9 5.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.388 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.799 HD13 ' CD2' ' A' ' 71' ' ' LEU . 38.8 mt -111.86 108.53 55.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.544 0.212 . . . . 0.0 111.197 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.4 Cg_exo -50.88 152.97 9.18 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.426 2.084 . . . . 0.0 112.363 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 42.9 Cg_exo -56.55 -63.56 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.558 2.172 . . . . 0.0 112.643 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.27 -22.0 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.468 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -39.16 75.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.303 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.597 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.2 pt20 -115.28 163.23 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 111.245 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 -140.41 124.68 17.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.764 HD13 ' HE2' ' A' ' 27' ' ' LYS . 4.0 tp -84.47 152.64 23.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 0.0 110.979 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mt -149.34 135.53 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.97 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -136.07 115.06 12.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.7 30.67 17.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.4 -29.44 10.24 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -61.92 113.86 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.17 101.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.679 HD23 HD12 ' A' ' 23' ' ' ILE . 5.4 mp -75.09 71.14 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.82 165.42 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.016 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -61.52 113.85 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.44 13.18 9.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.673 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 6.9 mmp_? -109.79 137.38 47.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 110.752 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.07 165.56 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.9 mt -87.31 -61.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.234 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -25.63 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.128 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -61.75 -30.78 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.766 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 22.4 m-85 -104.55 18.77 21.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 t30 55.83 76.45 0.28 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.839 0.352 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -119.63 103.29 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -84.41 -169.68 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -78.61 149.02 33.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 55.4 26.77 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -70.23 175.53 4.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.746 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.68 101.51 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD13 ' CD2' ' A' ' 43' ' ' LEU . 16.4 mt -99.91 117.96 35.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -71.19 140.88 50.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' A' ' 41' ' ' GLN . 3.6 tt -120.08 144.77 47.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' N ' HD23 ' A' ' 69' ' ' LEU . 23.6 t -125.91 98.44 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.799 ' CD2' HD13 ' A' ' 36' ' ' ILE . 11.8 mt -78.09 115.04 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -62.51 142.02 58.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 tt -81.68 119.13 23.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -123.8 153.54 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.81 -29.07 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.574 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.777 0.322 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -98.7 30.05 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.418 ' O ' ' CD1' ' B' ' 27' ' ' PHE . 6.3 mt-30 -90.11 -25.81 20.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.477 ' O ' HD12 ' B' ' 28' ' ' LEU . 0.6 OUTLIER -90.02 -28.71 18.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.282 -179.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 p30 -65.07 -17.95 64.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.409 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.418 ' CD1' ' O ' ' B' ' 24' ' ' GLN . 0.2 OUTLIER -55.19 -24.99 29.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.737 0.303 . . . . 0.0 111.207 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.919 HD13 ' N ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.75 -26.43 61.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.129 -179.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.919 ' N ' HD13 ' B' ' 28' ' ' LEU . 6.8 mttm -57.99 -21.82 46.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -67.42 -14.09 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.283 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -92.48 16.89 10.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.359 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -48.11 35.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 79.0 p -84.81 -29.83 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.43 -32.2 68.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.636 ' OE2' HG13 ' A' ' 70' ' ' VAL . 11.7 mt-10 -84.43 -31.65 24.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.96 77.62 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -101.3 168.2 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -127.63 -45.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 33.8 mtp -90.4 76.82 6.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.445 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.548 ' HG2' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -83.34 94.43 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.697 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 62' ' ' GLN . 5.4 pt -96.61 150.39 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.701 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -99.97 117.25 33.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.006 0.432 . . . . 0.0 111.156 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -93.82 107.81 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.953 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.581 ' HB2' HG23 ' A' ' 12' ' ' THR . 34.6 tttt -93.92 124.96 38.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -87.33 173.18 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -58.44 -48.5 80.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -59.37 -29.1 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.14 45.48 0.68 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -112.87 102.54 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.701 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -98.49 106.67 18.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.342 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 47.0 mm -110.54 140.34 30.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 112.088 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.548 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -76.15 110.88 11.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.14 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.885 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -127.09 121.4 31.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.696 -179.445 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.593 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.3 tm-20 -85.28 120.88 27.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.013 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.003 HG11 HG13 ' A' ' 26' ' ' VAL . 5.9 m -142.4 129.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.162 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.9 154.68 80.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.807 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 33.6 Cg_endo -64.97 -50.72 2.0 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.41 2.074 . . . . 0.0 112.375 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 p -60.28 -29.77 69.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.48 118.11 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 26' ' ' VAL . 72.1 p -60.16 -177.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.448 HD12 HD23 ' A' ' 50' ' ' LEU . 43.8 mm -65.76 -37.13 79.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.6 tp10 -56.72 -42.51 79.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.718 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 10.9 t-20 -64.59 -33.21 75.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.255 0.55 . . . . 0.0 110.507 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.003 HG13 HG11 ' A' ' 17' ' ' VAL . 3.3 t -72.81 -55.59 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.863 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.674 ' HE3' HD13 ' A' ' 43' ' ' LEU . 10.7 mmtm -59.44 -21.74 60.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.43 -60.16 3.72 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.629 178.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' CB ' HD11 ' A' ' 15' ' ' LEU . 1.6 mptp? -60.03 -44.22 94.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.021 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.47 -27.96 43.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.423 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -73.99 -39.32 63.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.572 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -83.56 -13.51 54.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.272 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 -29.58 12.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.713 0.292 . . . . 0.0 111.265 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -116.04 -36.16 4.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.329 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.13 30.38 6.7 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.309 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.076 HD13 HD21 ' A' ' 71' ' ' LEU . 32.8 mt -115.72 112.17 43.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.5 0.19 . . . . 0.0 111.094 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 56.0 Cg_exo -52.12 150.26 19.5 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.456 2.104 . . . . 0.0 112.352 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.5 Cg_exo -57.82 -38.91 90.99 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.58 2.186 . . . . 0.0 112.476 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.24 -29.99 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.079 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.29 -28.82 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.693 ' HB2' HD21 ' A' ' 69' ' ' LEU . 11.2 pt20 -128.94 156.48 43.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.382 . . . . 0.0 111.209 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.83 -176.6 3.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.537 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.885 HD21 HD13 ' A' ' 67' ' ' LEU . 1.2 tp -154.85 138.08 15.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.926 0.393 . . . . 0.0 111.315 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mt -131.34 139.91 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CD1' HD23 ' A' ' 67' ' ' LEU . 24.8 t80 -154.15 136.1 14.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.59 30.67 19.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.4 27.86 73.11 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -128.01 143.16 51.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -84.9 114.18 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.87 HD22 HD23 ' A' ' 43' ' ' LEU . 10.1 mp -73.78 86.8 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.44 156.13 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.44 71.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.95 43.16 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.403 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 3.0 mtt180 -138.18 140.8 39.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -77.71 154.81 31.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.017 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.6 mt -71.63 -46.18 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 t -52.39 -25.97 11.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.54 -30.82 52.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.831 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 13.0 m-85 -91.81 8.75 35.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.365 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 58.64 35.08 24.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.724 0.297 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.433 HG12 ' CD2' ' A' ' 45' ' ' PHE . 32.6 mt -85.22 98.62 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.493 ' O ' HG22 ' A' ' 3' ' ' ILE . 2.6 mt-30 -80.68 -166.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.759 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 143.6 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 57.01 26.83 12.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.5 m -69.8 -177.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.82 100.05 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.885 HD13 HD21 ' A' ' 43' ' ' LEU . 21.3 mt -92.98 118.94 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -76.94 105.63 8.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.267 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 41' ' ' GLN . 6.0 tt -88.59 146.43 25.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.636 HG13 ' OE2' ' B' ' 35' ' ' GLU . 21.5 t -123.54 94.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 HD13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -69.48 112.67 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -85.49 146.64 26.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.3 162.13 29.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 -95.82 179.68 5.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.44 -91.8 1.75 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.564 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.834 0.349 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -107.64 33.09 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.433 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 7.7 mp0 -67.59 -45.04 76.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -85.56 -21.18 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -53.52 -59.04 5.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' B' ' 24' ' ' GLN . 11.3 p90 -69.25 -29.17 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.981 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 68' ' ' HIS . 28.8 tp -58.25 -27.56 64.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.04 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -54.37 -30.57 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -62.54 -39.07 92.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.709 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.651 ' CD1' HG11 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -59.85 -30.51 69.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.961 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.524 ' HB2' HD22 ' A' ' 8' ' ' LEU . 4.1 ttp85 -59.42 -38.66 81.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -75.89 -31.57 59.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.565 ' OE1' HG12 ' A' ' 70' ' ' VAL . 6.9 mt-10 -94.23 16.23 15.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.266 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.81 83.12 6.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -151.45 118.57 5.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.86 -46.11 11.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 7.2 mtm -61.36 -36.26 79.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.303 -1.276 . . . . 0.0 112.496 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.622 ' HG2' HG23 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.813 0.339 . . . . 0.0 111.176 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 86.83 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.622 HG23 ' HG2' ' A' ' 1' ' ' MET . 10.1 pt -87.85 172.0 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -123.48 101.58 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 110.965 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.727 HG11 HD12 ' A' ' 69' ' ' LEU . 21.6 t -79.14 111.01 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.4 ' HB2' HG23 ' A' ' 12' ' ' THR . 43.6 tttt -95.5 142.44 27.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.3 p -105.11 166.46 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' B' ' 32' ' ' ARG . 0.6 OUTLIER -59.09 -46.16 88.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.3 p -59.61 -29.46 68.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.28 47.99 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.84 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.85 109.83 15.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -109.14 116.83 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 179.679 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.84 HD11 ' HE2' ' A' ' 11' ' ' LYS . 41.0 mm -118.4 142.24 34.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.031 0.443 . . . . 0.0 112.034 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.479 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.27 110.82 11.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.137 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.692 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -126.39 127.01 44.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 -179.39 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.692 ' N ' HD13 ' A' ' 15' ' ' LEU . 46.0 tp10 -86.23 130.15 34.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.042 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 4.2 m -148.74 121.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -59.5 137.08 89.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.0 -27.24 53.55 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.433 2.089 . . . . 0.0 112.31 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 m -98.26 41.18 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -129.81 133.55 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.6 p -63.61 169.48 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 50' ' ' LEU . 43.5 mm -62.19 -30.96 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -59.07 -40.59 85.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.58 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 27.5 t-20 -64.22 -30.91 71.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.196 0.522 . . . . 0.0 110.689 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 2.6 t -76.29 -58.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.88 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.802 ' NZ ' HD22 ' A' ' 43' ' ' LEU . 9.1 mmtm -55.82 -25.04 39.87 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.28 -58.83 5.86 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.568 178.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HB2' HD11 ' A' ' 15' ' ' LEU . 22.4 mttm -61.75 -42.3 98.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.803 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.713 HD11 HG21 ' A' ' 5' ' ' VAL . 66.7 mt -62.5 -28.05 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.21 179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -73.8 -41.69 62.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.483 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.49 -14.19 58.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.227 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.11 -44.47 7.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.757 0.313 . . . . 0.0 111.225 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.88 -33.08 9.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.379 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.68 26.16 7.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.332 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.514 HD13 HD21 ' A' ' 71' ' ' LEU . 49.6 mt -118.0 127.13 26.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.523 0.202 . . . . 0.0 111.228 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 64.3 Cg_endo -73.68 148.43 41.76 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.427 2.085 . . . . 0.0 112.109 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 49.8 Cg_exo -55.38 -21.6 30.35 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.519 2.146 . . . . 0.0 112.621 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -80.44 -30.2 37.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.422 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 61.9 mt-30 -81.75 -29.12 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.191 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.757 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.7 pt20 -124.16 146.58 48.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.975 0.417 . . . . 0.0 111.116 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -118.34 179.79 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.478 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.802 HD22 ' NZ ' ' A' ' 27' ' ' LYS . 5.4 tp -140.71 147.87 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.046 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mt -148.41 144.51 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -163.17 139.44 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.001 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.14 39.71 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.08 25.62 62.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -123.64 140.68 52.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -81.77 112.94 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.0 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 23' ' ' ILE . 6.8 mp -78.93 70.04 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -60.9 160.65 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -70.56 65.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.23 40.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -140.6 141.6 35.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -75.77 173.2 11.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.621 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.5 mt -89.99 -39.08 13.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.174 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 t -58.54 -29.94 66.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -70.71 -30.66 67.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.401 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 26.9 m-85 -94.36 12.8 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.365 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 54.45 40.93 32.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.86 0.362 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.2 mt -88.65 127.46 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 3' ' ' ILE . 5.4 mm-40 -112.12 -169.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.22 141.94 45.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 58.35 27.37 15.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.9 m -80.06 134.79 36.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.781 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.93 104.45 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.512 HD12 ' CD1' ' A' ' 3' ' ' ILE . 12.0 mt -97.53 120.46 37.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.565 ' HB3' HD22 ' B' ' 28' ' ' LEU . 2.4 m-70 -66.18 137.04 56.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 41' ' ' GLN . 3.3 tt -121.28 151.97 39.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.651 HG11 ' CD1' ' B' ' 31' ' ' TRP . 18.4 t -125.13 94.81 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.514 HD21 HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -82.28 107.01 14.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -68.44 139.06 55.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.0 tp -82.26 158.37 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -125.46 -44.56 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.1 -120.94 1.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.516 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.441 -1.2 . . . . 0.0 112.503 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.51 -29.6 14.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -59.48 -59.93 4.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -28.97 68.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.13 -29.38 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.486 ' CE1' ' CZ3' ' B' ' 30' ' ' TRP . 0.1 OUTLIER -56.44 -57.85 10.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.818 HD12 ' HE1' ' B' ' 31' ' ' TRP . 4.4 tp -49.5 -63.38 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.88 0.372 . . . . 0.0 110.844 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -57.13 -21.9 35.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.486 ' CZ3' ' CE1' ' B' ' 27' ' ' PHE . 1.2 t90 -75.16 -59.04 2.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.818 ' HE1' HD12 ' B' ' 28' ' ' LEU . 0.3 OUTLIER -93.0 17.04 11.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.658 -179.645 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -39.92 88.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.782 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.2 p -93.51 -30.27 15.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.939 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -32.28 67.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -100.0 16.21 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.191 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.05 30.61 6.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -107.11 90.33 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.49 -34.14 14.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.57 -34.28 6.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.567 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' CE ' HD22 ' A' ' 56' ' ' LEU . 10.9 ttt . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.854 0.359 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.713 ' HG2' HG22 ' A' ' 14' ' ' THR . 4.0 tt0 -101.33 114.75 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.764 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.456 HG12 HG22 ' A' ' 17' ' ' VAL . 8.3 pt -96.62 171.51 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.561 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -121.42 106.45 11.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.962 0.41 . . . . 0.0 110.975 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.578 HG21 HD11 ' A' ' 30' ' ' ILE . 33.5 t -81.37 107.07 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.66 ' HB2' HG23 ' A' ' 12' ' ' THR . 33.1 tttm -98.83 125.26 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -90.57 162.66 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.445 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -59.48 -40.6 87.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.98 -31.65 71.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.42 63.93 0.35 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.856 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -142.97 104.0 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 111.007 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.66 HG23 ' HB2' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -103.68 109.13 20.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.367 179.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.856 HD11 ' HE2' ' A' ' 11' ' ' LYS . 43.7 mm -113.29 141.36 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.979 0.419 . . . . 0.0 112.073 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.713 HG22 ' HG2' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -76.59 110.82 11.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.092 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.659 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -126.57 123.77 38.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.773 -179.439 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.621 ' N ' HD13 ' A' ' 15' ' ' LEU . 29.3 tp10 -81.91 131.1 35.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.194 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.128 HG11 HG13 ' A' ' 26' ' ' VAL . 6.1 m -151.47 124.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.962 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.15 146.69 60.1 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.89 -28.41 48.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.486 2.124 . . . . 0.0 112.175 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.47 ' C ' HG22 ' A' ' 55' ' ' THR . 0.7 OUTLIER -104.86 31.35 4.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -98.95 118.05 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 26' ' ' VAL . 32.9 p -59.21 162.86 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.611 HD12 HD23 ' A' ' 50' ' ' LEU . 45.2 mm -58.52 -37.83 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 35.1 mt-10 -58.84 -41.77 87.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.619 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -66.36 -31.04 71.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.212 0.53 . . . . 0.0 110.403 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.128 HG13 HG11 ' A' ' 17' ' ' VAL . 2.8 t -75.89 -55.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.728 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.684 ' HE2' HD22 ' A' ' 43' ' ' LEU . 7.5 mmtp -58.18 -23.77 56.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.81 -60.52 3.18 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.862 178.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 15' ' ' LEU . 21.2 mttm -59.94 -43.78 94.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.153 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.578 HD11 HG21 ' A' ' 5' ' ' VAL . 81.1 mt -62.23 -30.39 48.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.242 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -71.43 -38.7 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.536 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -83.79 -14.01 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.295 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.83 -28.27 13.93 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.285 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -118.2 -37.82 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.402 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.75 28.92 6.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.347 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.735 HD13 ' CD2' ' A' ' 71' ' ' LEU . 31.1 mt -108.04 116.41 57.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.51 0.195 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 50.4 Cg_exo -55.49 142.24 81.18 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.427 2.085 . . . . 0.0 112.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 35.6 Cg_exo -57.42 -30.87 89.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.471 2.114 . . . . 0.0 112.491 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.08 23.3 6.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.272 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -120.35 -32.83 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.727 ' HB2' HD21 ' A' ' 69' ' ' LEU . 20.9 pt20 -113.56 141.86 46.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.065 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -106.38 152.15 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.684 HD22 ' HE2' ' A' ' 27' ' ' LYS . 5.4 tp -123.18 147.03 47.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.038 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 48' ' ' LYS . 21.4 mt -149.3 142.73 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.035 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -158.25 141.54 15.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.87 37.93 29.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.2 26.8 68.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 44' ' ' ILE . 12.8 mtmm -126.36 145.34 50.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -83.94 109.44 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 23' ' ' ILE . 4.7 mp -69.19 100.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.45 159.36 16.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.1 115.96 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.81 16.01 7.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.652 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.29 131.11 55.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.47 HG22 ' C ' ' A' ' 20' ' ' SER . 8.0 p -95.03 149.42 21.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.848 HD23 ' HB ' ' A' ' 61' ' ' ILE . 5.4 mp -57.89 -30.69 66.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.6 t -59.41 -29.89 68.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.783 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -84.89 -47.54 10.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.772 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 6.9 m-85 -73.3 -11.5 60.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.314 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 68.93 42.35 1.33 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.848 ' HB ' HD23 ' A' ' 56' ' ' LEU . 45.7 mt -86.39 99.91 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -71.41 -176.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -71.97 149.86 44.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 52.92 25.55 4.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 m -72.82 147.47 45.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.729 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.74 104.54 17.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.568 HD13 HD21 ' A' ' 43' ' ' LEU . 11.8 mt -93.62 119.73 33.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -71.03 119.78 15.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 41' ' ' GLN . 1.9 tt -110.31 152.64 25.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.799 HG21 ' CZ2' ' B' ' 31' ' ' TRP . 25.1 t -137.83 94.92 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.735 ' CD2' HD13 ' A' ' 36' ' ' ILE . 15.1 mt -72.69 124.8 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -93.09 47.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.628 HD13 ' HB3' ' A' ' 71' ' ' LEU . 10.0 mp -80.77 150.47 29.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -149.11 89.24 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.74 121.21 0.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.514 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.82 0.343 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 6.4 t -98.87 33.1 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.623 ' O ' HD11 ' B' ' 28' ' ' LEU . 29.2 pt20 -71.97 -28.02 63.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.46 ' HA ' HD11 ' B' ' 28' ' ' LEU . 16.1 p-10 -90.11 -20.18 23.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.565 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.26 -47.29 7.87 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.731 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 1.8 p90 -41.92 -43.6 3.14 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.707 HD21 ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -52.58 -34.49 50.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 -179.778 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -53.18 -24.51 11.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.661 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 -83.99 -38.27 21.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.643 ' CD1' HG11 ' A' ' 70' ' ' VAL . 1.3 t-105 -58.96 -26.38 64.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -55.82 -46.93 77.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 73.7 p -100.04 -32.63 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.63 -44.05 93.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.414 ' HB2' ' CD1' ' B' ' 31' ' ' TRP . 4.3 tp10 -76.79 -30.5 56.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.15 90.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 59.91 88.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -129.13 -45.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 7.6 ttp -89.81 -38.21 13.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.465 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HG2' HG23 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.78 0.324 . . . . 0.0 111.272 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.01 85.93 4.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.524 HG12 HG22 ' A' ' 17' ' ' VAL . 4.8 pt -91.84 145.02 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER -97.48 110.21 22.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.98 0.419 . . . . 0.0 111.193 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.653 HG21 HD11 ' A' ' 30' ' ' ILE . 32.4 t -85.57 110.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.789 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB2' HG23 ' A' ' 12' ' ' THR . 4.3 tttt -97.84 134.75 40.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -101.06 163.05 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.64 ' O ' HD22 ' A' ' 8' ' ' LEU . 1.4 tm? -59.62 -42.51 92.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.6 p -59.35 -29.77 67.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.81 64.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.728 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -145.93 112.22 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.34 . . . . 0.0 110.955 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -109.05 115.14 29.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.46 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.728 HD11 ' HE2' ' A' ' 11' ' ' LYS . 42.7 mm -117.31 140.96 38.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.936 0.398 . . . . 0.0 112.02 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.472 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.99 110.89 10.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.108 179.392 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -126.05 127.51 45.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.758 -179.42 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.686 ' N ' HD13 ' A' ' 15' ' ' LEU . 36.3 tp10 -86.02 130.13 34.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.041 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.043 HG11 HG13 ' A' ' 26' ' ' VAL . 5.1 m -151.58 119.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.81 138.77 90.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.81 -26.26 47.03 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.437 2.091 . . . . 0.0 112.283 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.58 39.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -129.31 128.18 42.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.3 p -59.81 174.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.6 HD12 HD23 ' A' ' 50' ' ' LEU . 40.6 mm -66.67 -31.47 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.8 tt0 -59.86 -40.03 87.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.579 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 27.1 t-20 -65.48 -31.4 72.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.195 0.521 . . . . 0.0 110.478 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.043 HG13 HG11 ' A' ' 17' ' ' VAL . 2.6 t -76.44 -56.73 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.752 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.836 ' NZ ' HD22 ' A' ' 43' ' ' LEU . 9.7 mmtm -57.33 -23.73 50.58 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 177.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.2 -60.97 2.57 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.721 178.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HB2' HD11 ' A' ' 15' ' ' LEU . 25.0 mttm -60.52 -42.24 96.03 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.086 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.653 HD11 HG21 ' A' ' 5' ' ' VAL . 72.0 mt -63.58 -28.53 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.284 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.8 -38.44 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.549 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.07 -14.25 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.192 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -97.2 -28.71 13.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.662 0.268 . . . . 0.0 111.287 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.85 -37.35 3.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.427 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.32 29.63 5.95 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.243 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.766 HD13 HD22 ' A' ' 71' ' ' LEU . 35.5 mt -113.2 111.54 50.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.492 0.187 . . . . 0.0 111.198 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 67.6 Cg_exo -51.58 152.51 12.39 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.375 2.05 . . . . 0.0 112.364 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.9 Cg_exo -54.81 -48.79 19.35 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.623 2.215 . . . . 0.0 112.487 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.2 -29.51 61.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -58.98 -30.92 68.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.086 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.537 ' HB2' HD21 ' A' ' 69' ' ' LEU . 21.1 pt20 -128.36 168.15 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.171 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 -133.55 166.05 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.678 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.836 HD22 ' NZ ' ' A' ' 27' ' ' LYS . 6.0 tp -132.72 146.78 52.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.731 HG21 ' CZ ' ' B' ' 27' ' ' PHE . 3.8 mp -142.0 149.11 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.967 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CD1' HD23 ' A' ' 67' ' ' LEU . 5.6 t80 -161.72 129.89 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.43 40.01 29.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.74 24.31 69.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.539 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -121.1 124.52 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.354 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.54 102.83 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.6 HD23 HD12 ' A' ' 23' ' ' ILE . 5.6 mp -64.98 79.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.674 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.78 158.25 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -63.63 113.52 3.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.14 21.2 6.0 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.571 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -116.47 134.03 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.409 ' C ' HD23 ' A' ' 56' ' ' LEU . 2.0 p -72.45 171.58 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.4 mt -89.96 -36.7 14.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -57.91 -29.45 65.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -63.63 -31.18 72.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -101.78 9.67 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.36 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 m120 55.68 43.36 28.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.349 . . . . 0.0 111.029 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.429 HG12 ' CD2' ' A' ' 45' ' ' PHE . 26.5 mt -78.7 114.49 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.191 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.429 ' O ' HG22 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -94.18 -168.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.83 148.73 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 55.51 26.01 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.9 m -75.22 -175.59 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.761 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.98 99.47 6.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 45' ' ' PHE . 12.2 mt -92.04 119.08 31.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.707 ' CG ' HD21 ' B' ' 28' ' ' LEU . 25.6 m80 -66.4 138.46 57.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.583 HD12 HG11 ' A' ' 5' ' ' VAL . 2.6 tt -127.47 148.8 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' B' ' 31' ' ' TRP . 21.5 t -129.02 98.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.766 HD22 HD13 ' A' ' 36' ' ' ILE . 19.2 mt -80.76 116.83 20.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -75.27 97.85 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 74' ' ' ARG . 1.3 tt -141.04 137.9 33.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.56 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -87.76 -169.94 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.82 -39.58 2.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.472 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 p30 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.349 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 62.5 p -77.27 -32.96 55.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.431 ' HA ' ' CZ ' ' B' ' 27' ' ' PHE . 18.5 pt20 -84.09 -46.78 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.71 -25.14 64.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.93 -69.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.096 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 28' ' ' LEU . 10.8 p90 -72.49 -29.77 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.047 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' B' ' 27' ' ' PHE . 25.6 tp -59.91 -28.81 67.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -55.59 -29.91 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.41 ' CH2' ' HG3' ' B' ' 34' ' ' GLU . 10.2 t90 -78.33 -31.38 48.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.535 ' CD1' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -69.4 -46.93 65.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.913 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -59.64 -31.01 69.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 57.6 p -76.9 -36.25 56.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.41 ' HG3' ' CH2' ' B' ' 30' ' ' TRP . 0.6 OUTLIER -59.34 -34.63 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -77.49 -29.5 52.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.23 -54.37 47.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 60.4 175.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -163.92 31.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.1 ptp -176.83 71.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.47 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.555 ' HG2' HG23 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.841 0.353 . . . . 0.0 111.146 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.457 ' HB3' HG22 ' A' ' 14' ' ' THR . 4.5 mt-30 -81.42 85.43 6.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 62' ' ' GLN . 4.6 pt -86.78 142.69 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.656 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -93.49 108.37 20.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.969 0.414 . . . . 0.0 111.202 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.6 HG21 HD11 ' A' ' 30' ' ' ILE . 30.1 t -83.73 105.17 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.574 ' HB2' HG23 ' A' ' 12' ' ' THR . 7.1 tttt -93.51 129.47 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -93.38 166.87 12.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -59.14 -46.5 88.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.7 p -60.31 -30.19 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.11 55.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.775 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -127.85 101.53 6.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.656 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -102.35 106.64 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.514 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.775 HD11 ' HE3' ' A' ' 11' ' ' LYS . 45.9 mm -112.43 138.6 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 112.016 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.461 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -74.57 110.86 9.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.056 179.284 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.694 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -125.43 126.78 45.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.837 -179.337 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.676 ' N ' HD13 ' A' ' 15' ' ' LEU . 44.8 tp10 -84.95 130.65 34.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.937 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.103 HG11 HG13 ' A' ' 26' ' ' VAL . 4.6 m -150.32 120.89 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.04 141.43 90.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.19 -34.73 88.99 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.411 2.074 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.586 ' O ' HG22 ' A' ' 55' ' ' THR . 0.3 OUTLIER -74.23 -32.47 63.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -59.44 136.88 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.1 p -78.57 -175.59 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.617 HD12 HD23 ' A' ' 50' ' ' LEU . 37.9 mm -65.19 -35.46 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.7 tp10 -57.67 -41.37 81.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.565 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 2.7 t30 -65.02 -30.89 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.123 0.487 . . . . 0.0 110.41 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.103 HG13 HG11 ' A' ' 17' ' ' VAL . 2.7 t -77.29 -56.66 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.856 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HE2' HD13 ' A' ' 43' ' ' LEU . 25.7 mmtp -56.44 -24.76 47.46 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.25 -61.35 2.3 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.951 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HB2' HD11 ' A' ' 15' ' ' LEU . 20.2 mttm -60.32 -43.39 96.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.044 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.6 HD11 HG21 ' A' ' 5' ' ' VAL . 76.5 mt -62.68 -29.23 46.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.333 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -39.83 67.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.56 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.75 -13.15 54.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.259 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 -28.67 13.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.25 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -118.67 -37.29 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.392 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.24 31.08 5.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.242 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.74 HD13 HD22 ' A' ' 71' ' ' LEU . 35.4 mt -117.15 107.08 46.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.546 0.212 . . . . 0.0 111.197 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -51.03 154.73 6.94 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.442 2.095 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.26 -62.9 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 112.482 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -59.65 -28.71 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -60.26 -37.09 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.191 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' HB2' HD21 ' A' ' 69' ' ' LEU . 16.3 pt20 -120.65 174.8 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 111.187 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.52 164.49 27.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.684 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.675 HD13 ' HE2' ' A' ' 27' ' ' LYS . 2.9 tp -136.79 143.52 43.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.123 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -140.85 142.0 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.43 ' CD2' HG12 ' A' ' 61' ' ' ILE . 33.4 t80 -159.32 137.66 10.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.95 39.08 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.22 26.61 64.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.498 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -125.79 146.2 49.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -83.98 118.29 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.617 HD23 HD12 ' A' ' 23' ' ' ILE . 6.5 mp -83.61 75.68 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.38 159.28 31.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -70.48 66.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.58 40.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -143.15 142.69 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 20' ' ' SER . 1.3 p -76.02 175.18 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.3 mt -89.93 -38.03 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.194 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.5 t -57.5 -30.1 64.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -71.87 -30.77 65.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 30.4 m-85 -93.3 4.12 54.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.438 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.3 m120 59.12 41.84 19.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.815 0.34 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.43 HG12 ' CD2' ' A' ' 45' ' ' PHE . 25.1 mt -87.01 118.61 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.586 ' O ' HG22 ' A' ' 3' ' ' ILE . 84.9 mm-40 -102.25 -177.79 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.89 143.37 55.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 58.23 26.65 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.9 m -72.95 150.52 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.06 101.44 13.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 3' ' ' ILE . 15.1 mt -92.55 121.3 33.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.673 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -75.09 113.11 12.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.6 tt -100.03 149.03 23.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.535 HG11 ' CD1' ' B' ' 31' ' ' TRP . 22.0 t -134.38 97.55 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.74 HD22 HD13 ' A' ' 36' ' ' ILE . 12.9 mt -74.91 116.81 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -79.01 92.64 4.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.62 131.65 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.84 -56.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 149.61 -173.46 29.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.52 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.905 0.383 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -109.97 -42.84 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -59.81 -48.03 83.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.66 -20.46 65.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -53.95 -63.49 1.13 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.179 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -61.74 -27.02 68.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.126 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 tp -57.5 -31.64 66.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.045 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -30.97 63.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.794 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.424 ' CZ2' ' HG3' ' B' ' 34' ' ' GLU . 30.2 t90 -62.96 -26.85 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.738 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.422 ' CZ2' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -93.13 16.98 11.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.294 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -89.18 -41.17 12.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -100.07 -28.03 13.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.424 ' HG3' ' CZ2' ' B' ' 30' ' ' TRP . 1.1 tm-20 -56.44 -29.38 61.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.43 ' OE2' HG13 ' A' ' 70' ' ' VAL . 16.8 mt-10 -58.77 -29.71 66.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.91 67.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.9 119.33 7.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -91.6 -62.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.6 -67.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.504 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.629 ' CE ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.91 0.386 . . . . 0.0 111.181 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.43 87.47 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.781 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.0 pt -92.12 144.7 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.797 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.4 OUTLIER -96.34 108.63 21.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.046 0.451 . . . . 0.0 111.229 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 30' ' ' ILE . 22.5 t -85.25 112.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.764 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HB2' HG23 ' A' ' 12' ' ' THR . 32.4 tttt -94.5 140.41 29.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.6 p -104.23 168.75 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -58.85 -48.14 82.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -29.46 66.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.5 46.26 0.63 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.549 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.725 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -117.97 112.19 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -108.97 115.95 31.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.559 179.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.725 HD11 ' HE2' ' A' ' 11' ' ' LYS . 44.2 mm -118.38 142.37 33.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 112.087 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.454 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -76.71 110.92 11.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.356 179.372 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD12 HG13 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -127.78 116.43 20.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.542 -179.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' N ' HD13 ' A' ' 15' ' ' LEU . 11.9 tm-20 -89.52 123.63 33.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.113 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.876 HG11 HG13 ' A' ' 26' ' ' VAL . 16.6 m -141.38 133.5 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.005 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.74 143.63 98.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.97 -47.5 20.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.376 2.05 . . . . 0.0 112.25 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.707 ' O ' HG22 ' A' ' 55' ' ' THR . 1.6 p -58.63 -34.44 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.002 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.65 123.55 16.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 26' ' ' VAL . 23.8 p -59.12 178.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.449 HD11 ' CE2' ' A' ' 59' ' ' TYR . 42.0 mm -64.44 -36.14 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 17.7 tt0 -58.62 -40.48 83.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.725 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 14.9 t-20 -64.44 -33.93 77.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.23 0.538 . . . . 0.0 110.591 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.876 HG13 HG11 ' A' ' 17' ' ' VAL . 2.9 t -71.44 -57.48 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.997 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.697 ' CE ' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -58.99 -22.2 60.15 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.309 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -61.9 -59.48 5.06 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.655 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.545 ' CE ' HG12 ' A' ' 17' ' ' VAL . 1.6 mptp? -60.05 -41.71 92.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.984 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 5' ' ' VAL . 68.8 mt -64.02 -25.45 38.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.563 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.89 -39.1 44.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.634 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.49 -15.07 53.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.59 -32.43 12.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.703 0.287 . . . . 0.0 111.432 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.23 -36.65 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.509 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.19 29.15 6.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.384 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.735 HD13 HD22 ' A' ' 71' ' ' LEU . 27.0 mt -115.48 110.96 44.39 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.555 0.217 . . . . 0.0 111.169 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.57 146.36 34.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.415 2.077 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.21 -35.09 95.0 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.451 2.101 . . . . 0.0 112.401 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -80.78 -31.24 35.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.04 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -29.14 68.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.622 ' HB2' HD21 ' A' ' 69' ' ' LEU . 9.0 pt20 -126.41 138.16 53.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' CD ' ' CZ2' ' B' ' 31' ' ' TRP . 28.6 mtt85 -99.32 168.44 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.672 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.697 HD23 ' CE ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -139.47 124.72 18.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 70' ' ' VAL . 2.6 mp -122.52 142.65 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CD2' HG12 ' A' ' 61' ' ' ILE . 59.2 t80 -149.76 126.06 10.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB3' ' HE2' ' A' ' 48' ' ' LYS . . . 57.03 31.29 19.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.84 26.0 70.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 12.9 mtmm -122.77 139.71 53.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -85.15 108.55 17.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.558 HD22 ' HG ' ' A' ' 43' ' ' LEU . 8.6 mp -64.53 81.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.6 145.2 40.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.89 74.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.36 43.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -140.8 142.18 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.804 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 20' ' ' SER . 69.2 p -80.61 146.91 30.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.629 HD12 ' CE ' ' A' ' 1' ' ' MET . 1.5 mt -58.22 -30.33 66.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -58.09 -30.63 66.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.23 -41.48 76.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.725 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CE2' HD11 ' A' ' 23' ' ' ILE . 47.5 m-85 -85.7 -14.42 45.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 m120 66.61 54.32 0.86 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.448 ' O ' ' HE3' ' A' ' 1' ' ' MET . 22.3 mt -91.84 97.24 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -60.15 -169.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.98 147.54 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 58.18 24.24 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.68 -170.2 1.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.534 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -125.05 98.65 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.537 HD22 HD11 ' A' ' 43' ' ' LEU . 6.7 mt -82.95 138.33 33.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.575 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -89.24 103.34 15.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.335 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.622 HD21 ' HB2' ' A' ' 41' ' ' GLN . 2.0 tt -90.19 153.57 20.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.801 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.556 ' N ' HD23 ' A' ' 69' ' ' LEU . 19.5 t -133.87 94.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.735 HD22 HD13 ' A' ' 36' ' ' ILE . 50.1 mt -73.96 113.28 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 150.42 39.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.0 tp -76.01 111.21 11.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -40.58 3.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.72 31.6 4.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.52 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.83 0.348 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 30.5 p -106.13 -35.31 7.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -60.05 -32.41 70.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -81.89 -31.23 31.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.79 -35.58 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.06 -29.19 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' B' ' 28' ' ' LEU . 10.7 tp -61.84 -51.67 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.663 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -60.83 -32.1 71.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.601 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -59.87 -27.35 66.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.639 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -93.37 16.97 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.252 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 mmm-85 -71.11 -70.03 0.34 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -97.07 22.11 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.06 -38.43 36.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -84.28 -31.57 24.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 90.2 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -85.18 89.22 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.49 70.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 2.5 ttm 59.93 34.04 21.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.478 -179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -82.43 89.51 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.524 ' CD1' HD12 ' A' ' 67' ' ' LEU . 8.9 pt -88.29 172.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.36 101.42 7.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.0 111.081 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 69' ' ' LEU . 22.3 t -77.36 112.09 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.45 ' HB2' HG23 ' A' ' 12' ' ' THR . 21.6 tttt -100.0 135.5 41.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.998 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 p -99.06 172.79 7.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -67.32 -47.51 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -57.46 -28.7 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.78 69.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.425 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.826 ' HE2' HD11 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -146.83 110.08 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.994 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.573 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -109.13 114.73 28.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.542 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.826 HD11 ' HE2' ' A' ' 11' ' ' LYS . 41.5 mm -116.52 141.62 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.065 0.46 . . . . 0.0 111.984 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.475 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.81 110.83 10.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.289 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -127.0 126.2 42.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.756 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.667 ' N ' HD13 ' A' ' 15' ' ' LEU . 13.1 tm-20 -85.2 130.9 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.144 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.029 HG11 HG13 ' A' ' 26' ' ' VAL . 4.8 m -148.13 119.87 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.037 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.94 141.73 89.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.36 -33.47 96.26 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.351 2.034 . . . . 0.0 112.245 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -92.91 47.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.993 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -132.65 148.2 52.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.4 p -81.89 170.4 15.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.487 HD12 HD23 ' A' ' 50' ' ' LEU . 37.9 mm -61.62 -32.52 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.576 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 4.5 tm-20 -58.92 -40.78 85.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.591 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -65.51 -30.96 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.194 0.521 . . . . 0.0 110.462 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.029 HG13 HG11 ' A' ' 17' ' ' VAL . 2.8 t -76.53 -56.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.77 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HE2' HD13 ' A' ' 43' ' ' LEU . 26.7 mmtp -57.15 -24.05 51.61 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 177.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -63.91 -61.46 2.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.905 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' A' ' 15' ' ' LEU . 19.5 mttm -59.94 -43.59 94.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.07 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 5' ' ' VAL . 76.6 mt -63.04 -28.34 44.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.428 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -73.16 -39.58 65.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.507 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -82.92 -14.49 54.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.224 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.0 -27.98 14.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.376 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -119.08 -39.33 2.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.359 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.79 28.09 5.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.429 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.759 HD13 HD22 ' A' ' 71' ' ' LEU . 37.0 mt -110.37 108.82 58.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.556 0.217 . . . . 0.0 111.154 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 57.7 Cg_exo -51.94 149.06 21.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.541 2.161 . . . . 0.0 112.36 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.4 Cg_exo -57.92 -30.69 90.56 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.54 2.16 . . . . 0.0 112.417 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -95.7 23.88 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -118.24 -31.8 4.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.583 ' HB2' HD21 ' A' ' 69' ' ' LEU . 23.4 pt20 -121.47 166.18 14.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.037 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -128.16 163.47 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.687 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.64 HD13 ' HE2' ' A' ' 27' ' ' LYS . 5.2 tp -132.6 144.56 50.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.067 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.486 ' CD1' HG23 ' A' ' 70' ' ' VAL . 3.5 mp -140.71 146.36 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.455 ' CD1' HD23 ' A' ' 67' ' ' LEU . 5.5 t80 -160.33 133.38 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.08 33.12 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.95 21.79 78.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.628 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -116.27 142.22 47.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -85.15 101.36 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD23 HD12 ' A' ' 23' ' ' ILE . 6.0 mp -67.44 79.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.77 159.89 28.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.95 116.28 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.85 16.69 9.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.63 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -110.77 132.22 54.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 110.789 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.38 168.55 18.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.034 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.3 mt -86.12 -41.43 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -57.2 -29.17 63.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.52 -31.07 70.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' CE2' ' HG ' ' A' ' 50' ' ' LEU . 40.1 m-85 -98.11 10.09 41.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.382 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 56.47 42.31 27.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.825 0.345 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.429 HG12 ' CD2' ' A' ' 45' ' ' PHE . 27.9 mt -82.65 128.48 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' HG22 ' A' ' 3' ' ' ILE . 29.3 mt-30 -112.17 -168.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -77.82 141.54 39.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 58.89 27.93 16.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.512 ' H ' HG22 ' A' ' 3' ' ' ILE . 45.1 m -80.09 137.39 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.673 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.14 105.56 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.524 HD12 ' CD1' ' A' ' 3' ' ' ILE . 10.9 mt -97.55 120.77 38.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.477 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.2 m-70 -68.14 137.39 54.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 5' ' ' VAL . 1.8 tt -126.09 151.05 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.603 ' HA ' HD12 ' A' ' 8' ' ' LEU . 21.4 t -135.85 94.94 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.759 HD22 HD13 ' A' ' 36' ' ' ILE . 6.5 mt -77.61 120.89 23.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.72 -177.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.3 136.19 57.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -73.22 173.39 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.7 110.71 1.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.468 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.506 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.844 0.354 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.407 ' O ' ' CD2' ' B' ' 27' ' ' PHE . 9.1 t -109.98 33.17 4.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.43 ' HA ' ' CE2' ' B' ' 27' ' ' PHE . 3.5 pt20 -81.55 -35.07 30.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.98 -23.26 21.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -54.89 -70.1 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.083 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' B' ' 24' ' ' GLN . 15.0 p90 -60.02 -30.12 68.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.434 HD22 ' ND1' ' A' ' 68' ' ' HIS . 25.9 tp -58.8 -27.84 65.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -54.76 -30.86 57.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.449 ' CH2' ' CG ' ' B' ' 34' ' ' GLU . 40.2 t90 -65.54 -36.74 84.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.703 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.838 ' CZ2' HG11 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -60.21 -27.32 67.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -56.45 -30.71 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.56 -31.05 15.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.968 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.449 ' CG ' ' CH2' ' B' ' 30' ' ' TRP . 6.0 tm-20 -59.26 -36.31 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.98 -30.45 21.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.33 53.99 2.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -154.8 94.45 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -176.33 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 1.9 mpp? 60.84 59.71 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.487 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.863 0.363 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.402 ' HB3' HG22 ' A' ' 14' ' ' THR . 7.5 mt-30 -84.55 84.13 7.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.494 HG12 HG22 ' A' ' 17' ' ' VAL . 4.4 pt -86.04 142.16 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.674 ' HB3' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -100.03 106.55 18.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.969 0.414 . . . . 0.0 111.148 -179.802 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.704 HG11 HD12 ' A' ' 69' ' ' LEU . 22.1 t -81.29 105.67 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HB2' HG23 ' A' ' 12' ' ' THR . 2.2 tttt -95.86 123.21 39.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 69' ' ' LEU . 27.6 p -87.89 175.84 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.638 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -59.59 -50.98 71.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -57.76 -28.11 63.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.48 41.51 0.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.83 ' HE3' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -105.99 100.15 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.938 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.674 HG22 ' HB3' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -100.51 106.35 17.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.512 179.612 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.83 HD11 ' HE3' ' A' ' 11' ' ' LYS . 44.9 mm -111.71 139.95 33.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.461 ' N ' ' CE1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -75.92 110.94 10.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.117 179.337 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -125.75 132.13 52.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 -179.354 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.763 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -89.5 130.06 35.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.087 -179.576 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.031 HG11 HG13 ' A' ' 26' ' ' VAL . 5.3 m -154.34 119.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.911 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -60.33 139.89 91.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.99 -27.21 62.79 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.414 2.076 . . . . 0.0 112.311 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.7 m -96.47 39.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -127.68 133.93 49.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.802 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.4 p -64.33 170.94 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.476 HD11 ' HG ' ' A' ' 50' ' ' LEU . 40.6 mm -63.71 -31.13 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 5.1 tt0 -58.7 -40.88 84.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.569 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 28.4 t-20 -64.5 -31.05 72.1 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.12 0.486 . . . . 0.0 110.423 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.031 HG13 HG11 ' A' ' 17' ' ' VAL . 2.6 t -76.9 -57.28 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.896 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.752 ' HE2' HD13 ' A' ' 43' ' ' LEU . 24.6 mmtp -56.35 -24.26 42.88 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -64.2 -61.84 1.99 Allowed 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.938 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HB2' HD11 ' A' ' 15' ' ' LEU . 22.5 mttm -59.82 -43.01 94.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.045 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.1 -29.05 46.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.335 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -72.72 -39.15 67.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.496 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -83.37 -14.55 52.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.29 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -98.52 -28.99 13.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.767 0.318 . . . . 0.0 111.374 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -116.87 -36.72 3.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.407 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.41 26.41 7.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.396 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.66 HD13 HD21 ' A' ' 71' ' ' LEU . 30.9 mt -110.9 103.96 55.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.567 0.222 . . . . 0.0 111.125 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.93 149.56 14.56 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.477 2.118 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.55 -28.96 76.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.582 2.188 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -97.04 27.27 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -123.08 -38.34 2.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.688 ' HB2' HD21 ' A' ' 69' ' ' LEU . 22.9 pt20 -115.01 164.79 13.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.129 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -124.45 162.72 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.688 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.752 HD13 ' HE2' ' A' ' 27' ' ' LYS . 2.5 tp -134.33 137.23 44.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.2 mt -136.29 137.79 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CD1' HD23 ' A' ' 67' ' ' LEU . 46.7 t80 -153.59 131.82 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.3 43.28 26.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 24.55 58.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -120.24 140.61 50.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.796 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -84.07 107.26 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' HG ' HD11 ' A' ' 23' ' ' ILE . 6.0 mp -72.2 76.52 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.781 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -73.77 158.53 34.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.1 113.73 3.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.61 19.23 6.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.666 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -116.25 136.15 53.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' HD23 ' A' ' 56' ' ' LEU . 2.4 p -73.8 172.48 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.642 HD23 ' N ' ' A' ' 56' ' ' LEU . 1.3 mt -89.98 -36.73 14.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -57.64 -30.19 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.61 -30.92 71.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -98.77 2.74 47.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.414 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 58.78 51.2 7.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -88.29 103.93 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -83.25 -170.41 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 145.65 31.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 56.18 26.42 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.008 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 m -70.59 -175.97 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.767 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.1 104.79 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.999 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 67' ' ' LEU . 13.3 mt -94.72 119.1 32.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.434 ' ND1' HD22 ' B' ' 28' ' ' LEU . 56.4 m170 -71.04 113.11 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.704 HD12 HG11 ' A' ' 5' ' ' VAL . 1.8 tt -100.91 144.27 30.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.838 HG11 ' CZ2' ' B' ' 31' ' ' TRP . 38.4 t -134.57 98.65 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.06 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.66 HD21 HD13 ' A' ' 36' ' ' ILE . 2.5 mm? -70.03 118.28 12.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.77 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -59.17 164.41 3.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.15 126.57 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 60.68 157.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.27 37.3 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.473 179.987 . . . . . . . . 0 0 . 1 stop_ save_